Basic information
- CAS
1255-86-3- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(C)C)CCC4(C)C3CCC12C- InChIKey
CZSGREWSSMQULY-UHFFFAOYSA-N- Molecular formula
- C30H52O
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.40181628
Names & identifiers
- Preferred name
- Ether, cholesteryl isopropyl
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-propan-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
- English name
- 3β-Isopropoxycholest-5-ene
- Molecular formula
- C30H52O
- Molecular weight
- 428.73328
Names & synonyms
Cholesteryl isopropyl ether1255-86-3ETHER, CHOLESTERYL ISOPROPYLBRN 31621003-06-00-02625 (Beilstein Handbook Reference)RefChem:3415613beta-Isopropoxycholest-5-ene10,13-dimethyl-17-(6-methylheptan-2-yl)-3-propan-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene3-isopropoxycholest-5-eneSCHEMBL8137675DTXSID309251513-[(Propan-2-yl)oxy]cholest-5-ene
Show more names
3β-Isopropoxycholest-5-eneCholesterin isopropyl etherCholest-5-ene, 3-(1-methylethoxy)-, (3β)-
AKOS024429479ST51253844
Database identifiers
- CAS
1255-86-3- PubChem CID
- 14745
- DTXSID
DTXSID30925151
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Melting point
- 130 · 130-132 °C
- Boiling point
- 491.8 · 491.8±24.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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