Structure database (LMSD)

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LM IDLMPR0102120007
Common Nameα-Pinene-oxide
Systematic Name-
Synonyms-
Exact Mass
152.1201 (neutral)    Calculate m/z:
FormulaC10H16O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID439800
KEGG IDC02759
HMDB IDHMDB03667
CHEBI ID29060
InChIKeyNQFUSWIGRKFAHK-KEMUHUQJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[C@@H]12C[C@@H](CC3OC13C)C2(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
149.47Topological Polar
Surface Area
12.53Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.78Molar
Refractivity
44.30