Structure database (LMSD)

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LM IDLMPR0102120049
Common Name(+)-sabinone
Systematic Name(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
Synonyms(+)-Sabinone;(+)-sabinone
Exact Mass
150.1045 (neutral)    Calculate m/z:
FormulaC10H14O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID439592
KEGG IDC01868
CHEBI ID15403
InChIKeyPBLWMCQDAGOTPV-SCZZXKLOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3/t8-,10+/m1/s1
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SMILES
[C@]12(C(C)C)[C@H](C1)C(=C)C(=O)C2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
160.35Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.18Molar
Refractivity
44.14