Lynestrenol

C₂₀H₂₈O — CID 5857

About Lynestrenol

Lynestrenol (PubChem CID 5857) has the molecular formula C₂₀H₂₈O and a molecular weight of 284.44 g/mol. Its IUPAC name is (8R,9S,10R,13S,14S,17R)-17-ethynyl-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: Lynestrenol
• PubChem CID: 5857
• Molecular Formula: C₂₀H₂₈O
• Molecular Weight: 284.44 g/mol
• Exact Mass: 284.21
• IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
• SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
• InChI: InChI=1S/C20H28O/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/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
• InChIKey: YNVGQYHLRCDXFQ-XGXHKTLJSA-N
• XLogP: 4.31
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.44
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Lynestrenol?

The IUPAC name of Lynestrenol (CID 5857) is (8R,9S,10R,13S,14S,17R)-17-ethynyl-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 Lynestrenol?

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

What is the InChIKey of Lynestrenol?

The InChIKey is YNVGQYHLRCDXFQ-XGXHKTLJSA-N. The full InChI is InChI=1S/C20H28O/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/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1.

What are the key properties of Lynestrenol?

Lynestrenol has a molecular weight of 284.44 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Lynestrenol is sourced from PubChem (CID 5857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5857 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1620 — approved-drug record (CC BY-SA 4.0)

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