Structure Database (LMSD)

Common Name
5-((Z)-undec-3-en-1-yl)resorcinol
Systematic Name
(Z)-5-(undec-3-en-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030015
Formula
C17H26O2
Exact Mass
Calculate m/z
262.19328
Status
Curated
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)
KBZMDBAMUVCKBO-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19H,2-7,10-11H2,1H3/b9-8-
SMILES (Click to copy)
C1(O)C=C(CC/C=C\CCCCCCC)C=C(O)C=1

Other Databases

PubChem CID
12314118

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 286.42
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.95
Molar Refractivity 80.61

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Updated at
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