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Basic information
- CAS
1972-30-1- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCl)CCC4(C)C3CCC12C- InChIKey
WTPUAOBDIFVQRT-UHFFFAOYSA-N- Molecular formula
- C29H49ClO
- Average molar mass
- 449.1 g/mol
- Monoisotopic mass
- 448.3471939
Names & identifiers
- Preferred name
- 3-(2-chloroethoxy)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
- IUPAC
- 3-(2-chloroethoxy)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
1972-30-1NSC226874DTXSID503104043-(2-Chloroethoxy)cholest-5-eneNSC-226874
Database identifiers
- CAS
1972-30-1- PubChem CID
- 313258
- DTXSID
DTXSID50310404
Properties
Computed structural propertiesFilling in
- XLogP
- 9.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 641
Related reactions
1 records
Compound notes
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