1,1-Diethoxy-3-hexyne
Basic information
- CAS
18229-85-1- Standard SMILES
CCC#CCC(OCC)OCC- InChIKey
ABFCOHSGVBONIO-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 1,1-Diethoxy-3-hexyne
- IUPAC
- 1,1-diethoxyhex-3-yne
- English name
- 1,1-diethoxyhex-3-yne
- Molecular formula
- C10H18O2
- Molecular weight
- 170.24872
Names & synonyms
1,1-Diethoxyhex-3-yne3-Hexyne, 1,1-diethoxy-1,1-Diethoxy-3-hexyneG9YP8FUT5RDTXSID90171278RefChem:71063DTXCID509376918229-85-1MFCD11554522EINECS 242-111-9UNII-G9YP8FUT5RABFCOHSGVBONIO-UHFFFAOYSA-N
Show more names
3-Hexyne-1-al diethyl acetal
AKOS006318802NS00026000
Database identifiers
- CAS
18229-85-1- PubChem CID
- 87519
- DTXSID
DTXSID90171278- UNII
- G9YP8FUT5R
- EC Number
- 242-111-9
- Nikkaji
- J266.069E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- FDA UNII
- 9 YP8FUT5R · G9YP8FUT5R
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Related reactions
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Compound notes
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