5-(4-Methylphenyl)heptanal
Basic information
- CAS
94201-03-3- Standard SMILES
CCC(CCCC=O)c1ccc(C)cc1- InChIKey
ZLJBIAXKACXRHZ-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)heptanal
- IUPAC
- 5-(4-methylphenyl)heptanal
- English name
- 5-(4-methylphenyl)heptanal
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
5-(4-Methylphenyl)heptanal94201-03-3EINECS 303-584-8DTXSID80916150ZLJBIAXKACXRHZ-UHFFFAOYSA-NNS00066204δ-Ethyl-4-methylbenzenepentanalBenzenepentanal, δ-ethyl-4-methyl-
Database identifiers
- CAS
94201-03-3- PubChem CID
- 3023975
- DTXSID
DTXSID80916150- EC Number
- 303-584-8
- Nikkaji
- J382.406C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 168
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Compound notes
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