Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102040000
Common NameOchtodane skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Ochtodane monoterpenoids [PR010204]
PubChem Compound ID (CID)-
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyGPQOPWVKNFRPTL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H20/c1-4-9-6-5-7-10(2,3)8-9/h9H,4-8H2,1-3H3
SMILESCCC1CC(C)(C)CCC1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
169.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.61Molar
Refractivity
46.03    
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