1-Chloro-trans-1-octen-3-one

HCID 11041003
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Basic information

Standard SMILES
CCCCCC(=O)/C=C/Cl
InChIKey
YLTBAANDCZGTCR-VOTSOKGWSA-N
Molecular formula
C8H13ClO
Average molar mass
160.64 g/mol

Names & identifiers

Preferred name
1-Chloro-trans-1-octen-3-one
IUPAC
(E)-1-chlorooct-1-en-3-one

Names & synonyms

chlorovinyl n-amyl ketoneSCHEMBL88388441-chloro-trans-1-octen-3-oneYLTBAANDCZGTCR-VOTSOKGWSA-N

Database identifiers

PubChem CID
11041003
Nikkaji
J2.992.670K

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
10

Related reactions

45 records
New reaction record

Linked notes

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