Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102120028
Common NameCarane skeleton
Systematic Name3,7,7-Trimethylbicyclo-[4.1.0]heptane
Synonyms-
Exact Mass-
Formula-
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID79043
HMDB IDHMDB0061796
CHEBI ID35663
InChIKeyBWRHOYDPVJPXMF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
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SMILES
C1C(C)CC2C(C)(C)C2C1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
156.84Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.08Molar
Refractivity
43.78