7-Ethyl-2-methylundecan-4-yl formate
Basic information
- CAS
5451-64-9- Standard SMILES
CCCCC(CC)CCC(CC(C)C)OC=O- InChIKey
XDXHHOQZLIEZKB-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- 7-Ethyl-2-methylundecan-4-yl formate
- IUPAC
- (7-ethyl-2-methylundecan-4-yl) formate
Names & synonyms
5451-64-97-ethyl-2-methylundecan-4-yl formateNSC21844DTXSID50281504NSC-21844
Database identifiers
- CAS
5451-64-9- PubChem CID
- 228735
- DTXSID
DTXSID50281504
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
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Compound notes
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