Structure Database (LMSD)

HO H
Common Name
sabinol
Systematic Name
(3R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol
Synonyms
LM ID
LMPR0102060021
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
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]
Cyclopropane and cyclobutane monoterpenoids [PR010206]

String Representations

InChiKey (Click to copy)
MDFQXBNVOAKNAY-HWOCKDDLSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8?,9-,10?/m1/s1
SMILES (Click to copy)
C12(C(C)C)C[C@@H](O)C(=C)C1([H])C2

References

Other Databases

CHEBI ID
26590
PubChem CID
42626428

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 162.99
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.26
Molar Refractivity 45.65

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Updated at
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