1-Pentyn-3-ol, 1-chloro-3-methyl-
Basic information
- CAS
31857-86-0- Standard SMILES
CCC(C)(O)C#CCl- InChIKey
QEAYVMNOZPBEII-UHFFFAOYSA-N- Molecular formula
- C6H9ClO
- Average molar mass
- 132.59 g/mol
- Monoisotopic mass
- 132.0341926
Names & identifiers
- Preferred name
- 1-Pentyn-3-ol, 1-chloro-3-methyl-
- IUPAC
- 1-chloro-3-methylpent-1-yn-3-ol
Names & synonyms
31857-86-01-Pentyn-3-ol, 1-chloro-3-methyl-RefChem:10562641-Chloro-3-methyl-1-pentyn-3-olNSC 15978BRN 1700501AI3-23720NSC15978NSC-15978
Database identifiers
- CAS
31857-86-0- PubChem CID
- 95507
- Nikkaji
- J69.091K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
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Compound notes
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