Basic information
- CAS
102736-13-0- Standard SMILES
CCC(C)CCCC(C)(C)Cl- InChIKey
JDLSLBJTXRCRNN-UHFFFAOYSA-N- Molecular formula
- C10H21Cl
- Average molar mass
- 176.72 g/mol
- Monoisotopic mass
- 176.1331784
Names & identifiers
- Preferred name
- Octane, 2-chloro-2,6-dimethyl-
- IUPAC
- 2-chloro-2,6-dimethyloctane
Names & synonyms
Octane, 2-chloro-2,6-dimethyl-102736-13-0DTXSID80888808RefChem:855943DTXCID1010280822-chloro-2,6-dimethyloctaneSCHEMBL15484206SCHEMBL18720978JDLSLBJTXRCRNN-UHFFFAOYSA-N
Database identifiers
- CAS
102736-13-0- PubChem CID
- 113441
- DTXSID
DTXSID80888808- Nikkaji
- J1.551.532E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctane, 2-chloro-2,6-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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