6-Methyltetradecanoic acid
Basic information
- CAS
53696-18-7- Standard SMILES
CCCCCCCCC(C)CCCCC(=O)O- InChIKey
SMOJEURVXRRQOH-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- 6-Methyltetradecanoic acid
- IUPAC
- 6-methyltetradecanoic acid
- English name
- 6-Methyltetradecanoic Acid
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
6-Methyltetradecanoic Acid53696-18-7DTXSID20729120RefChem:309135DTXCID30679864starbld00040866-methyl-tetradecanoic acidSCHEMBL1457577SMOJEURVXRRQOH-UHFFFAOYSA-NDB-30719653696-18-7, 6-Methyltetradecanoic Acid, Tetradecanoic acid, 6-methyl-, CTK1E3701, FT-0672213Tetradecanoic acid, 6-methyl-
Database identifiers
- CAS
53696-18-7- PubChem CID
- 58340751
- DTXSID
DTXSID20729120
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 333.77 °C · 333.77°C (estimate)
- Density
- 0.8666 · 0.8666 (rough estimate)
- refractive index
- 1.4343 · 1.4343 (estimate)
- solubility
- Dichloromethane, Ethyl Acetate, Hexanes
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
Uses6-Methyltetradecanoic Acid (cas# 53696-18-7) is a compound useful in organic synthesis.
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Compound notes
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