5-Oxo-5-(pentamethylphenyl)pentanoic acid
Basic information
- CAS
655224-28-5- Standard SMILES
Cc1c(C)c(C)c(C(=O)CCCC(=O)O)c(C)c1C- InChIKey
LSTWOJFKZVADSB-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
- Monoisotopic mass
- 262.15689456
Names & identifiers
- Preferred name
- 5-Oxo-5-(pentamethylphenyl)pentanoic acid
- IUPAC
- 5-oxo-5-(2,3,4,5,6-pentamethylphenyl)pentanoic acid
- English name
- 5-(2,3,4,5,6-Pentamethylphenyl)-5-oxovaleric acid
- Molecular formula
- C16H22O3
- Molecular weight
- 262.34
Names & synonyms
655224-28-5DTXSID503844035-Oxo-5-(pentamethylphenyl)pentanoic acidRefChem:304546DTXCID203354275-(2,3,4,5,6-Pentamethylphenyl)-5-oxovaleric acid5-oxo-5-(2,3,4,5,6-pentamethylphenyl)pentanoic acidMFCD00118837Maybridge3_000894HMS1433I14Oprea1_464371CCG-48234
Show more names
Benzenepentanoic acid, 2,3,4,5,6-pentamethyl-δ-oxo-
AKOS009241923IDI1_012281F2075355-(2,3,4,5,6-Pentamethylphenyl)-5-oxovalericacidSR-01000637792-1
Database identifiers
- CAS
655224-28-5- PubChem CID
- 2803501
- DTXSID
DTXSID50384403
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
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Related reactions
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Compound notes
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