Basic information
- CAS
91681-56-0- Standard SMILES
CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O- InChIKey
IKRFTYQBIVDIMM-XMMPIXPASA-N- Molecular formula
- C26H50O4
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.37091007
Names & identifiers
- Preferred name
- 3-Dodecanoyltetradecanoic acid
- IUPAC
- (3R)-3-dodecanoyloxytetradecanoic acid
- English name
- 3-dodecanoyltetradecanoic acid
- Molecular formula
- C26H50O4
- Molecular weight
- 426.67
Names & synonyms
3-Dodecanoyltetradecanoic acidTetradecanoic acid, 3-((1-oxododecyl)oxy)-, (R)-RefChem:9373291681-56-0(3r)-3-(dodecanoyloxy)tetradecanoic acidSCHEMBL1536625DTXSID70919594IKRFTYQBIVDIMM-XMMPIXPASA-N3-(dodecanoyloxy)tetradecanoic acid(R)3-dodecanoyloxytetradecanoic acid(R)-3-dodecanoyloxytetradecanoic acid4-Oxo-3-undecylpentadecanoic acid
Show more names
(R)-3-(dodecanoyloxy)tetradecanoic acidTetradecanoic acid, 3-[(1-oxododecyl)oxy]-, (3R)-
Database identifiers
- CAS
91681-56-0- PubChem CID
- 124680
- DTXSID
DTXSID70919594- Nikkaji
- J784.833A
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 36 · 36-38 °C(Solv: pentane (109-66-0))
- Boiling point
- 527.9 · 527.9±33.0 °C(Predicted)
- Density
- 0.935 · 0.935±0.06 g/cm3(Predicted)
- pka
- 3.97 · 3.97±0.10(Predicted)
Chemistry & industry
Suppliers5 total
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
7 records
Compound notes
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