Structure database (LMSD)

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LM IDLMPR0102120029
Common NameThujane skeleton
Systematic Name4-Methyl-1-(1-methylethyl)-bicyclo[3.1.0]hexane
Synonyms-
Exact Mass-
Formula-
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID79017
CHEBI ID35709
InChIKeyGCTNBVHDRFKLLK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3
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SMILES
C1C(C)C2C(C(C)C)(C2)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
156.84Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.08Molar
Refractivity
43.78