Basic information
- CAS
55955-78-7- Standard SMILES
CCCCCCCCCCCC(C)C(=O)OC- InChIKey
HWADSXPGNJZHGI-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Methyl 2-methyltridecanoate
- IUPAC
- methyl 2-methyltridecanoate
- English name
- 2-Methyltridecanoic acid methyl ester
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
Methyl 2-methyltridecanoate55955-78-7Tridecanoic acid, 2-methyl-, methyl esterDTXSID00971362RefChem:354422DTXCID701398877HWADSXPGNJZHGI-UHFFFAOYSA-NMethyl 2-methyltridecanoate #SCHEMBL151335072-Methyltridecanoic acid methyl ester
Database identifiers
- CAS
55955-78-7- PubChem CID
- 41671
- DTXSID
DTXSID00971362- Nikkaji
- J119.192F
Properties
Computed structural properties
- XLogP
- 6.4
- 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
- 178
Physicochemical properties
- LogP
- 6.234 · 6.234 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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