Basic information
- CAS
18000-76-5- Standard SMILES
COCOC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1- InChIKey
JQWNLAOFJMUGBT-UHFFFAOYSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- 3-(Methoxymethoxy)androst-5-en-17-one
- IUPAC
- 3-(methoxymethoxy)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
3-(Methoxymethoxy)androst-5-en-17-oneDTXSID90939294
Database identifiers
- CAS
18000-76-5- PubChem CID
- 86645
- DTXSID
DTXSID90939294
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 553
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…