Structure Database (LMSD)

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
LM ID
LMPR0102010018
Formula
C10H18O
Exact Mass
Calculate m/z
154.135765
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

String Representations

InChiKey (Click to copy)
CZVXBFUKBZRMKR-SNVBAGLBSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C(/C)(\C)=C/C[C@@H](C(=C)C)CO

Other Databases

CHEBI ID
50282
PubChem CID
68133

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 185.07
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.81
Molar Refractivity 49.93

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Updated at
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