Structure database (LMSD)

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LM IDLMPR0102120035
Common Name(-)-sabinene (W)
Systematic Name(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane (1S,5S)-thuj-4(10)-
ene
Synonyms(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane
Exact Mass
136.1252 (neutral)    Calculate m/z:
FormulaC10H16
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID11051711
HMDB IDHMDB0034928
CHEBI ID50028
InChIKeyNDVASEGYNIMXJL-UWVGGRQHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
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SMILES
C1CC([C@]2([H])C[C@]12C(C)C)=C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
154.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.00Molar
Refractivity
43.75