Basic information
- CAS
35231-91-5- Standard SMILES
CC(C)(C)CC(C)(C)C(=O)Oc1cccc2ccccc12- InChIKey
PVHHAAWDOLTBIR-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Names & identifiers
- Preferred name
- Pentanoic acid, 2,2,4,4-tetramethyl-, 1-naphthalenyl ester
- IUPAC
- naphthalen-1-yl 2,2,4,4-tetramethylpentanoate
Names & synonyms
35231-91-5Pentanoic acid, 2,2,4,4-tetramethyl-, 1-naphthalenyl esterRefChem:1094511naphthalen-1-yl 2,2,4,4-tetramethylpentanoateBRN 2284133Valeric acid, 2,2,4,4-tetramethyl-, 1-naphthyl ester1-Naphthalenyl 2,2,4,4-tetramethylpentanoateDTXSID70956666
Database identifiers
- CAS
35231-91-5- PubChem CID
- 215215
- DTXSID
DTXSID70956666
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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