Molecular properties
- Formula
- C8H17Cl
- Molar mass
- 148.68 g·mol−1
- Exact mass
- 148.1019 Da
- 0
- PubChem CID
- 33575
Molecule record
3-chlorooctane
C8H17Cl
148.68 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1117-79-9
- 214-253-1
- AKOS011002496
- DTXCID601023156
- DTXSID10883649
- EINECS 214-253-1
- Ethylhexylchlorid
- FYNJWLOOBINARS-UHFFFAOYSA-N
Show all 16 synonyms
- NS00045639
- Octane, 3-chloro-
- RefChem:93522
- SCHEMBL2534214
- SCHEMBL27559561
- SCHEMBL4304048
- SCHEMBL6262427
- SCHEMBL8865734
Structure identifiers
- Canonical SMILES
- CCCCCC(Cl)CC
- Isomeric SMILES
- CCCCCC(CC)Cl
- InChI
- InChI=1S/C8H17Cl/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3
- InChIKey
- FYNJWLOOBINARS-UHFFFAOYSA-N
- PubChem CID
- 33575
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-chlorooctane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-chlorooctane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.