Structure database (LMSD)

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LM IDLMPK15010009
Common Name3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)phenol
Systematic Name3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)phenol
Synonyms-
Exact Mass
300.2453 (neutral)    Calculate m/z:
FormulaC21H32O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID11098630
CAYMAN ID23153
InChIKeyFAYVLNWNMNHXGA-UTOQUPLUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h4-5,7-8
,15,17-19,22H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
SMILESC1C=C(CCCCCCC/C=C\C/C=C\CCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings1Rotatable Bonds12
 van der Waals
Molecular Volume
344.19Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.58Molar
Refractivity
97.32