Structure Database (LMSD)

Common Name
(Z)-5-(heptadec-2-en-1-yl)resorcinol
Systematic Name
(Z)-5-(heptadec-2-en-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030023
Formula
C23H38O2
Exact Mass
Calculate m/z
346.28718
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
BPEIRDYFAYZUNF-NXVVXOECSA-N
InChi (Click to copy)
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h15-16,18-20,24-25H,2-14,17H2,1H3/b16-15-
SMILES (Click to copy)
C1(O)C=C(C/C=C\CCCCCCCCCCCCCC)C=C(O)C=1

Other Databases

PubChem CID
126457709

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 390.22
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.29
Molar Refractivity 108.31

Admin

Created at
-
Updated at
-