Benzene, 1-(1-heptynyl)-2-methyl-
Basic information
- CAS
64146-63-0- Standard SMILES
CCCCCC#Cc1ccccc1C- InChIKey
KIRBDEGMAYAQNZ-UHFFFAOYSA-N- Molecular formula
- C14H18
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.14085057
Names & identifiers
- Preferred name
- Benzene, 1-(1-heptynyl)-2-methyl-
- IUPAC
- 1-hept-1-ynyl-2-methylbenzene
Names & synonyms
Benzene, 1-(1-heptynyl)-2-methyl-64146-63-0DTXSID10477300RefChem:323513DTXCID104281101-(HEPT-1-YN-1-YL)-2-METHYLBENZENE
Database identifiers
- CAS
64146-63-0- PubChem CID
- 12086331
- DTXSID
DTXSID10477300- Nikkaji
- J1.979.780E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
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Related reactions
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Compound notes
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