3-Chloro-3-methyl-1-pentyne
Basic information
- CAS
14179-94-3- Standard SMILES
C#CC(C)(Cl)CC- InChIKey
WTNNDYSRQSOJKB-UHFFFAOYSA-N- Molecular formula
- C6H9Cl
- Average molar mass
- 116.59 g/mol
- Monoisotopic mass
- 116.039278
Names & identifiers
- Preferred name
- 3-Chloro-3-methyl-1-pentyne
- IUPAC
- 3-chloro-3-methylpent-1-yne
Names & synonyms
3-Chloro-3-methyl-1-pentyne1-Pentyne, 3-chloro-3-methyl-14179-94-3RefChem:10675763-chloro-3-methylpent-1-yne3-chloro-3-methyl-pent-1-yneBRN 09693534-01-00-01021 (Beilstein Handbook Reference)SCHEMBL6202223DTXSID50931198AKOS006240460
Database identifiers
- CAS
14179-94-3- PubChem CID
- 203334
- DTXSID
DTXSID50931198- Nikkaji
- J69.086D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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