Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103490001
Common Name(+)-α-Longipinene
Systematic Name(+)-3-longipinene
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longipinane sesquiterpenoids [PR010349]
PubChem CID42608167
InChIKeyHICYDYJTCDBHMZ-WOFVOEOOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,
1-4H3/t11?,12?,13?,15-/m0/s1
SMILESC12CC=C(C)C3[C@@]1(C)CCCC(C)(C)C23
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings5Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
220.74Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.42Molar
Refractivity
64.58