Structure Database (LMSD)

Common Name
alpha-Pinene-oxide
Systematic Name
Synonyms
LM ID
LMPR0102120007
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
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]
Bicyclic monoterpenoids [PR010212]

String Representations

InChiKey (Click to copy)
NQFUSWIGRKFAHK-KEMUHUQJSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8?,10?/m0/s1
SMILES (Click to copy)
[C@@H]12C[C@@H](CC3OC13C)C2(C)C

Other Databases

KEGG ID
C02759
HMDB ID
HMDB03667
PubChem CID
439800

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 149.47
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.78
Molar Refractivity 44.30

Admin

Created at
-
Updated at
-