Androst-5-en-17-one
Basic information
- CAS
25824-80-0- Standard SMILES
CC12CCC3C(CC=C4CCCCC43C)C1CCC2=O- InChIKey
AFGDPPHTYUQKOF-UHFFFAOYSA-N- Molecular formula
- C19H28O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.21401551
Overview
structure given in first source
Names & identifiers
- Preferred name
- Androst-5-en-17-one
- IUPAC
- 10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- English name
- Androst-5-en-17-one
- Molecular formula
- C19H28O
- Molecular weight
- 272.43
Names & synonyms
DTXSID00347588RefChem:112622DTXCID802986606830-13-3Androst-5-en-17-one10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneSCHEMBL25209412AKOS0243420013-Deoxy Dhea3-DeoxydehydroepiandrosteroneAndrost-5-en-17-one(3-Deoxydehydroepiandrosterone)(8R,9S,10R,13S,14S)-10,13-Dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Database identifiers
- CAS
25824-80-0- PubChem CID
- 623386
- DTXSID
DTXSID00347588- EC Number
- 149-002-4
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Melting point
- 105 · 105-107 °C
- Boiling point
- 383.3 · 383.3±41.0 °C(Predicted)
- Density
- 1.05 · 1.05
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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