Basic information
- CAS
16898-88-7- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CCC=C(C)C- InChIKey
ZPACYDRSPFRDHO-UHFFFAOYSA-N- Molecular formula
- C27H44O2
- Average molar mass
- 400.6 g/mol
- Monoisotopic mass
- 400.33413064
Overview
See also: Gefarnate (annotation moved to).
Names & identifiers
- Preferred name
- 3,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoate
- IUPAC
- 3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-trienoate
- English name
- 3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-enoate
- Molecular formula
- C27H44O2
- Molecular weight
- 400.64
Names & synonyms
16898-88-7DTXSID208589693,7-Dimethyl-2,6-octadien-1-yl 5,9,13-trimethyl-4,8,12-tetradecatrienoateRefChem:272596DTXCID108096273,7-Dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-enoateEINECS 240-942-1orb1299737SCHEMBL10669804ZPACYDRSPFRDHO-UHFFFAOYSA-N4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (4E,8E)-s5477
Show more names
5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid 3,7-dimethyl-2,6-octadienyl ester3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-enoate, 10 mM in DMSO3,7dimethylocta2,6dienyl 5,9,13trimethyltetradeca4,8,12enoate,3,7 dimethylocta 2,6 dienyl 5,9,13 trimethyltetradeca 4,8,12 enoate
NS00085210
Database identifiers
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Boiling point
- 484.698 · 484.698±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.901 · 0.901±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…