11-(3-Pentyloxiran-2-yl)undec-9-enoic acid

HCID 1416
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Basic information

CAS
6799-85-5
Standard SMILES
CCCCCC1OC1CC=CCCCCCCCC(=O)O
InChIKey
CCPPLLJZDQAOHD-UHFFFAOYSA-N
Molecular formula
C18H32O3
Average molar mass
296.4 g/mol
Monoisotopic mass
296.23514488

Overview

11-(3-Pentyloxiran-2-yl)undec-9-enoic acid has been reported in Matricaria discoidea, Matricaria matricarioides, and Baccharoides anthelmintica with data available.

Names & identifiers

Preferred name
11-(3-Pentyloxiran-2-yl)undec-9-enoic acid
IUPAC
11-(3-pentyloxiran-2-yl)undec-9-enoic acid

Names & synonyms

11-(3-pentyloxiran-2-yl)undec-9-enoic acid(?)12(13)-EpOME(+/-)12,13-EODENCIOpen2_002285CBiol_001810KBioGR_000082KBioSS_000082SCHEMBL1568580KBio2_000082KBio2_002650KBio2_005218KBio3_000163
Show more names
KBio3_000164DTXSID60987409Bio1_000096Bio1_000585Bio1_001074Bio2_000082Bio2_00056212,13-epoxy-octadeca-9-enoic acid

Database identifiers

CAS
6799-85-5
PubChem CID
1416
DTXSID
DTXSID60987409

Properties

Computed structural propertiesFilling in

XLogP
5.6
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
21

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Compound notes

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