5,5-Diethoxy-4-methylpent-3-en-1-yne
Basic information
- CAS
91057-18-0- Standard SMILES
C#C/C=C(\C)C(OCC)OCC- InChIKey
DERQCIKRSQWNOA-CMDGGOBGSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 5,5-Diethoxy-4-methylpent-3-en-1-yne
- IUPAC
- (E)-5,5-diethoxy-4-methylpent-3-en-1-yne
Names & synonyms
5,5-Diethoxy-4-methylpent-3-en-1-yneEINECS 293-345-391057-18-05,5-Diethoxy-4-methyl-3-penten-1-yne4VHZ8MZM93DERQCIKRSQWNOA-CMDGGOBGSA-N2-Methyl-pent-2-en-4-ynal-diethylacetal3-Penten-1-yne, 5,5-diethoxy-4-methyl-2-Penten-4-ynal, 2-methyl-, diethyl acetal
Database identifiers
- CAS
91057-18-0- PubChem CID
- 6366190
- UNII
- 4VHZ8MZM93
- EC Number
- 293-345-3
- Nikkaji
- J318.981C
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 179
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Compound notes
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