Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103550001
Common Name(+)-8-Daucen-5-ol
Systematic Name-
Synonyms-
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Daucane sesquiterpenoids [PR010355]
PubChem CID442347
InChIKeyXZYQCFABZDVOPN-ILXRZTDVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10
H2,1-4H3/t13-,14+,15+/m1/s1
SMILES[C@]12(O)CCC(C)=CC[C@@]1(C)CC[C@@H]2C(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
249.49Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.21Molar
Refractivity
68.74