Basic information
- CAS
55683-00-6- Standard SMILES
CC(C)(C)C#CCCl- InChIKey
KVZRKULKRPSPAE-UHFFFAOYSA-N- Molecular formula
- C7H11Cl
- Average molar mass
- 130.61 g/mol
- Monoisotopic mass
- 130.054928
Names & identifiers
- Preferred name
- 4,4-Dimethylpent-2-ynyl chloride
- IUPAC
- 1-chloro-4,4-dimethylpent-2-yne
- English name
- 2,2-Dimethyl-5-chloro-3-pentyne
- Molecular formula
- C7H11Cl
- Molecular weight
- 130.62
Names & synonyms
4,4-Dimethylpent-2-ynyl chloride55683-00-62-Pentyne, 1-chloro-4,4-dimethyl-DTXSID10301893RefChem:96374DTXCID30253027KVZRKULKRPSPAE-UHFFFAOYSA-N1-chloro-4,4-dimethylpent-2-yne1-Chloro-4,4-dimethyl-2-pentyneNSC-147125NSC1471252-Pentyne,4-dimethyl-
Show more names
2,2-Dimethyl-5-chloro-3-pentyne1-chloro-4,4-dimethyl-pent-2-yne4,4-Dimethyl-2-pentynyl chloride
764WAA37Z6MFCD189727311-Chloro-4,4-dimethyl-2-pentyne #AKOS006382383SY499770
Database identifiers
- CAS
55683-00-6- PubChem CID
- 287342
- DTXSID
DTXSID10301893- UNII
- 764WAA37Z6
- Nikkaji
- J109.020H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- FDA UNII
- 764 WAA37Z6 · 764WAA37Z6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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