Basic information
- CAS
40870-14-2- Standard SMILES
C#CCC(CC#C)C(=O)Cl- InChIKey
WQYJLPCGUHTQCY-UHFFFAOYSA-N- Molecular formula
- C8H7ClO
- Average molar mass
- 154.59 g/mol
- Monoisotopic mass
- 154.0185425
Names & identifiers
- Preferred name
- 2-(Prop-2-yn-1-yl)pent-4-ynoyl chloride
- IUPAC
- 2-prop-2-ynylpent-4-ynoyl chloride
Names & synonyms
40870-14-22-(Prop-2-yn-1-yl)pent-4-ynoyl chloridedipropargyl acetyl chlorideSCHEMBL8945452DTXSID80548834
Database identifiers
- CAS
40870-14-2- PubChem CID
- 13765083
- DTXSID
DTXSID80548834
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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