3-Methylhexane, (+)-
Basic information
- CAS
6131-24-4- Standard SMILES
CCC[C@@H](C)CC- InChIKey
VLJXXKKOSFGPHI-ZETCQYMHSA-N- Molecular formula
- C7H16
- Average molar mass
- 100.2 g/mol
- Monoisotopic mass
- 100.12520051
Names & identifiers
- Preferred name
- 3-Methylhexane, (+)-
- IUPAC
- (3S)-3-methylhexane
Names & synonyms
(S)-3-Methylhexane(+)-3-MethylhexaneHexane, 3-methyl-, (3S)-3-Methylhexane, (+)-6131-24-466M56682SHDTXSID00348535RefChem:1068311DTXCID30299607UNII-66M56682SH(3S)-3-methylhexane(s)-3-methyl-hexane
Show more names
SCHEMBL1223453SCHEMBL10604210SCHEMBL11420748SCHEMBL23069490VLJXXKKOSFGPHI-ZETCQYMHSA-NQ27264007
Database identifiers
- CAS
6131-24-4- PubChem CID
- 638046
- DTXSID
DTXSID00348535- UNII
- 66M56682SH
- Nikkaji
- J1.340.135G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 31
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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