Basic information
- CAS
62108-33-2- Standard SMILES
CCC#CC(C)CCC- InChIKey
KZPFAERNQBTVSG-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- 3-Octyne, 5-methyl-
- IUPAC
- 5-methyloct-3-yne
- English name
- 3-Octyne, 5-methyl-
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
3-Octyne, 5-methyl-62108-33-2DTXSID80338398RefChem:281427DTXCID90289483KZPFAERNQBTVSG-UHFFFAOYSA-N5-methyloct-3-yne5-Methyl-3-octyne #SCHEMBL2120621SCHEMBL2121226NS000960365-Methyl-3-octyne
Database identifiers
- CAS
62108-33-2- PubChem CID
- 548907
- DTXSID
DTXSID80338398- Nikkaji
- J125.195C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- -49.99 °C · -49.99°C (estimate)
- Boiling point
- 151.06 °C · 151.06°C (estimate)
- Density
- 0.7734 · 0.7734 (estimate)
- refractive index
- 1.4138 · 1.4138 (estimate)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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