Benzene, (1-methyl-2-butynyl)-
Basic information
- CAS
87712-69-4- Standard SMILES
CC#CC(C)c1ccccc1- InChIKey
IQXKRMIPUKYQNF-UHFFFAOYSA-N- Molecular formula
- C11H12
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.09390038
Names & identifiers
- Preferred name
- Benzene, (1-methyl-2-butynyl)-
- IUPAC
- pent-3-yn-2-ylbenzene
Names & synonyms
Benzene, (1-methyl-2-butynyl)-87712-69-4DTXSID00342472RefChem:323090DTXCID60293552IQXKRMIPUKYQNF-UHFFFAOYSA-N(pent-3-yn-2-yl)benzeneSCHEMBL1453760SCHEMBL26210808(1-Methyl-2-butynyl)benzene #
Database identifiers
- CAS
87712-69-4- PubChem CID
- 582273
- DTXSID
DTXSID00342472- Nikkaji
- J1.160.170G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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