Structure database (LMSD)

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LM IDLMPR0102010019
Common Name(R)-lavandulol
Systematic Name(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol
Synonyms(-)-2-isopropenyl-5-methyl-4-hexen-1-ol;(-)-lavandulol;(2R)-5-methyl-2-(1-
methylethenyl)hex-4-en-1-ol;(R)-(-)-lavandulol;(R)-5-methyl-2-(1-methylethenyl)
-4-hexen-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)5464156
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID50283
InChIKeyCZVXBFUKBZRMKR-JTQLQIEISA-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-/m0/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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