Structure Database (LMSD)

OH
Common Name
S-ipsenol
Systematic Name
2-Methyl-6-methylene-7-octen-4S-ol
Synonyms
LM ID
LMPR0102010028
Formula
C10H18O
Exact Mass
Calculate m/z
154.135765
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
RHAXCOKCIAVHPB-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3/t10-/m0/s1
SMILES (Click to copy)
CC(C)C[C@H](O)CC(=C)C=C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
93186

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
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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