Hex-1-yn-3-yl acetate
Basic information
- CAS
6295-64-3- Standard SMILES
C#CC(CCC)OC(C)=O- InChIKey
HCRMZISIVJPGSJ-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Hex-1-yn-3-yl acetate
- IUPAC
- hex-1-yn-3-yl acetate
Names & synonyms
hex-1-yn-3-yl acetate6295-64-3DTXSID10286530RefChem:347337DTXCID202376793-AcetoxyhexinNSC46340SCHEMBL4299825NSC-46340
Database identifiers
- CAS
6295-64-3- PubChem CID
- 240252
- DTXSID
DTXSID10286530- Nikkaji
- J2.179.265I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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