1-Chloro-3,7-dimethyloctane

HCID 227360
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Basic information

CAS
5453-97-4
Standard SMILES
CC(C)CCCC(C)CCCl
InChIKey
IFTYHSVPPGZJQG-UHFFFAOYSA-N
Molecular formula
C10H21Cl
Average molar mass
176.72 g/mol
Monoisotopic mass
176.13317835

Names & identifiers

Preferred name
1-Chloro-3,7-dimethyloctane
IUPAC
1-chloro-3,7-dimethyloctane

Names & synonyms

1-chloro-3,7-dimethyloctane5453-97-4NSC189163,7-dimethyloctyl chlorideSCHEMBL65585533,7-dimethyl-1-octyl chlorideDTXSID60280846IFTYHSVPPGZJQG-UHFFFAOYSA-NNSC-18916

Database identifiers

CAS
5453-97-4
PubChem CID
227360
DTXSID
DTXSID60280846

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
6
Heavy atoms
11

Related reactions

5 records
New reaction record

Compound notes

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