Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102120012
Common Name(+)-α-Pinene (W)
Systematic Name-
Synonyms-
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 CID82227
KEGG IDC06306
HMDB IDHMDB0035658
CHEBI ID28660
InChIKeyGRWFGVWFFZKLTI-RKDXNWHRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
SMILES[C@H]12C(C)=CC[C@H](C1)C2(C)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
150.40Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.00Molar
Refractivity
43.75