Structure database (LMSD)

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LM IDLMPR0102120020
Common Name(1R,2S,4R)-(+)-Bornyl acetate
Systematic Name-
Synonyms-
Exact Mass
196.1463 (neutral)    Calculate m/z:
FormulaC12H20O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID443131
KEGG IDC11338
InChIKeyKGEKLUUHTZCSIP-YZRBJQDESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1
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SMILES
C12([C@@]([H])(OC(=O)C)CC(CC1)C2(C)C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings2Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
206.38Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.05Molar
Refractivity
55.30