Structure database (LMSD)

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LM IDLMPR0102120011
Common Name(+)-Comphene
Systematic Name-
Synonyms-
Exact Mass
136.1252 (neutral)    Calculate m/z:
FormulaC10H16
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID92221
KEGG IDC06304
CHEBI ID20
InChIKeyCRPUJAZIXJMDBK-DTWKUNHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
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SMILES
[C@H]12CC[C@H](C(=C)C1(C)C)C2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
154.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.00Molar
Refractivity
43.75