Structure database (LMSD)

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LM IDLMPK15010007
Common Name(Z)-3-(pentadec-8-en-1-yl)phenol
Systematic Name(Z)-3-(pentadec-8-en-1-yl)phenol
Synonyms-
Exact Mass
302.2610 (neutral)    Calculate m/z:
FormulaC21H34O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID5281854
CAYMAN ID23154
InChIKeyYLKVIMNNMLKUGJ-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,
17-19,22H,2-6,9-14,16H2,1H3/b8-7-
SMILESC1C=C(CCCCCCC/C=C\CCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
346.83Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.80Molar
Refractivity
97.41