Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102010018
Common Name(S)-lavandulol
Systematic Name(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol
Synonyms(2S)-5-methyl-2-(1-methylethenyl)hex-4-en-1-ol
Exact Mass
154.1358 (neutral)    Calculate m/z:
FormulaC10H18O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Acyclic monoterpenoids [PR010201]
PubChem Compound ID (CID)68133
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID50282
InChIKeyCZVXBFUKBZRMKR-SNVBAGLBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m1/s1
SMILESCC(C)=CC[C@@H](CO)C(C)=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
185.07Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.81Molar
Refractivity
49.93    
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