Basic information
- CAS
1190-55-2- Standard SMILES
CC(C)CCCC(C)CCCC(C)CC(=O)O- InChIKey
XXCXRVNSUQAYMM-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Overview
3,7,11-trimethyl-dodecanoic acid is a sesquiterpenoid.
Names & identifiers
- Preferred name
- 3,7,11-Trimethyldodecanoic acid
- IUPAC
- 3,7,11-trimethyldodecanoic acid
- English name
- 3,7,11-Trimethyldodecanoic acid
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
3,7,11-Trimethyldodecanoic acid1190-55-22,6,10-Trimethylundecane-1-carboxylic acidDTXSID10922845RefChem:910757DTXCID3013517183,7,11-trimethyl-dodecanoic acidFarnesanoic acidFarnesylic acid, hexahydro-SCHEMBL1116136CHEBI:196024LMFA01020248
Show more names
Dodecanoic acid, 3,7,11-trimethyl-BP-44259G70645Dodecanoic acid, 3,7,11-trimethyl-; 3,7,11-Trimethyldodecanoic acid; Farnesanoic acid; Farnesylic acid, hexahydro-
Database identifiers
- CAS
1190-55-2- PubChem CID
- 192736
- DTXSID
DTXSID10922845- ChEBI
CHEBI:196024- Nikkaji
- J38.659F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physicochemical properties
- Melting point
- 146 · 146-148 °C
- Boiling point
- 175 · 175-185 °C(Press: 10 Torr)
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.10(Predicted)
Chemistry & industry
Suppliers4 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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