Ethylestrenol

C₂₀H₃₂O — CID 13765

About Ethylestrenol

Ethylestrenol (PubChem CID 13765) has the molecular formula C₂₀H₃₂O and a molecular weight of 288.47 g/mol. Its IUPAC name is (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.

Molecular Properties

• Compound Name: Ethylestrenol
• PubChem CID: 13765
• Molecular Formula: C₂₀H₃₂O
• Molecular Weight: 288.47 g/mol
• Exact Mass: 288.25
• IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
• SMILES: CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
• InChI: InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
• InChIKey: AOXRBFRFYPMWLR-XGXHKTLJSA-N
• XLogP: 5.09
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	288.47
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethylestrenol?

The IUPAC name of Ethylestrenol (CID 13765) is (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.

What is the SMILES notation for Ethylestrenol?

The canonical SMILES for Ethylestrenol is CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C.

What is the InChIKey of Ethylestrenol?

The InChIKey is AOXRBFRFYPMWLR-XGXHKTLJSA-N. The full InChI is InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1.

What are the key properties of Ethylestrenol?

Ethylestrenol has a molecular weight of 288.47 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethylestrenol is sourced from PubChem (CID 13765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13765 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1094 — approved-drug record (CC BY-SA 4.0)

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