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terpinolene - Compound Summary (CID 11463)

RN given refers to parent cpd


Drug and Chemical Information: (Total:1)         

Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

NJ-HSFS - New Jersey Material Data Safety Sheets

EINECS - European Inventory of Existing Commercial Chemical Substances

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature


Literature

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Depositor-Supplied Synonyms: (Total: 38)
Display: Next 10 | All | Sort:
Isoterpinene
Terpinolen
TERPINOLENE
Tereben
alpha-Terpinolene
Nofmer TP
.gamma.-Terpinolene
p-Mentha-1,4(8)-diene
1,4(8)-p-Menthadiene
1,4(8)-Terpadiene


Properties Computed from Structure:
Molecular Weight136.23404 [g/mol]
Molecular FormulaC10H16
XLogP3-AA2.8
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count0
Exact Mass136.125201
MonoIsotopic Mass136.125201
Topological Polar Surface Area0
Heavy Atom Count10
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 1-methyl-4-propan-2-ylidenecyclohexene
Canonical SMILES: CC1=CCC(=C(C)C)CC1
InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey: MOYAFQVGZZPNRA-UHFFFAOYSA-N


Compound Information:
CID 11463   
Create Date: 2005-03-27


Similar Compounds: 237 Links
Similar Conformers: 4024 Links    View Conformers


Substance Information:
Substances:
    All: 31 Links
    Same structure: 24 Links
    Mixture: 7 Links

Category: [for same structure substances]
Biological Properties: 4 Links
   CambridgeSoft Corporation ( 1 )
SID 7995217 - External ID: 9468
   ChEBI ( 1 )
SID 49836648 - External ID: CHEBI:9457
   DiscoveryGate ( 1 )
SID 8158397 - External ID: 11463
   LeadScope ( 1 )
SID 49856975 - External ID: LS-3108

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 15297291 - External ID: 00059579

Metabolic Pathways: 1 Link
   KEGG ( 1 )
SID 8341 - External ID: C06075

Physical Properties: 5 Links
   MP Biomedicals ( 1 )
SID 56371270 - External ID: 222668
   NIST ( 2 )
SID 10374880 - External ID: 2216120360
SID 10494187 - External ID: 2822145452
   NIST Chemistry WebBook ( 2 )
SID 10545096 - External ID: 2216120360
SID 10528380 - External ID: 2822145452

Substance Vendors: 10 Links
   ChemSpider ( 4 )
SID 29279761 - External ID: 10979
SID 36517446 - External ID: 13850380
SID 36517704 - External ID: 13850638
SID 37913873 - External ID: 13885253
   MP Biomedicals ( 1 )
SID 56371270 - External ID: 222668
   R&D Chemicals ( 1 )
SID 29204608 - External ID: 5067
   Sigma-Aldrich ( 4 )
SID 24866653 - External ID: 42565_FLUKA
SID 24888687 - External ID: 86484_FLUKA
SID 24888688 - External ID: 86485_FLUKA
SID 24901446 - External ID: W304603_ALDRICH

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 7503316 - External ID: 6691720

Toxicology: 3 Links
   ChemIDplus ( 1 )
SID 154770 - External ID: 000586629
   EPA DSSTox ( 2 )
SID 48417619 - External ID: 27223
SID 48420923 - External ID: 41495
     

2D

3D
Compound ID11463
Molecular Weight136.23404 [g/mol]
Molecular FormulaC10H16
XLogP3-AA2.8
H-Bond Donor0
H-Bond Acceptor0


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