Basic information
- CAS
35449-36-6- Standard SMILES
CC(C)(CO)CCCCCCC(C)(C)CO- InChIKey
DJKWDKJYFYUEBQ-UHFFFAOYSA-N- Molecular formula
- C14H30O2
- Average molar mass
- 230.39 g/mol
- Monoisotopic mass
- 230.2245802
Overview
structure
Names & identifiers
- Preferred name
- Gemcadiol
- IUPAC
- 2,2,9,9-tetramethyldecane-1,10-diol
- English name
- Gemcadiol
- Molecular formula
- C14H30O2
- Molecular weight
- 230.39
Names & synonyms
Gemcadiol35449-36-62,2,9,9-Tetramethyl-1,10-decanediolCI-720GemcadiolumNSC-2338111,10-DECANEDIOL, 2,2,9,9-TETRAMETHYL-7M9T46208FDTXSID5020651RefChem:922147DTXCID906512,2,9,9-tetramethyldecane-1,10-diol
Show more names
Gemcadiol [USAN:INN]Gemcadiolum [INN-Latin]CI 720NSC 233811BRN 17482652,2,9,9-Tetramethyldecan-1,10-diolUNII-7M9T46208FGEMCADIOL [INN]
Database identifiers
- CAS
35449-36-6- PubChem CID
- 37147
- DTXSID
DTXSID5020651- ChEMBL
CHEMBL2105082- UNII
- 7M9T46208F
- Nikkaji
- J18.855G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 61.5 °C · 61.5°C
- Boiling point
- 295.95 °C · 295.95°C (rough estimate)
- Density
- 0.9036 · 0.9036 (rough estimate)
- refractive index
- 1.4705 · 1.4705 (estimate)
- pka
- 14.93 · 14.93±0.10(Predicted)
- FDA UNII
- 7 M9T46208F · 7M9T46208F
Chemistry & industry
Applications
UsesAntihyperlipoproteinemic.
Suppliers4 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
1 records
Compound notes
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