Basic information
- CAS
62637-96-1- Standard SMILES
CCCCCCCCCCC(=O)OCC(C)C- InChIKey
CTPIEDAGOVPDLZ-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Undecanoic acid, 2-methylpropyl ester
- IUPAC
- 2-methylpropyl undecanoate
- English name
- Undecanoic acid 2-methylpropyl ester
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
Undecanoic acid, 2-methylpropyl ester62637-96-1DTXSID5069598RefChem:901056DTXCID30434432-methylpropyl undecanoateUndecanoic acid 2-methylpropyl esterUndecansaureisobutylesterSCHEMBL2396865Undecanoic acid, isobutyl esterDB-361766
Database identifiers
- CAS
62637-96-1- PubChem CID
- 112894
- DTXSID
DTXSID5069598- Nikkaji
- J429.465C
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- EPA Substance Registry System
- 2 · Undecanoic acid, 2-methylpropyl ester (62637-96-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationUndecanoic acid, 2-methylpropyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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