Androstenediol

C₁₉H₃₀O₂ — CID 10634

About Androstenediol

Androstenediol (PubChem CID 10634) has the molecular formula C₁₉H₃₀O₂ and a molecular weight of 290.45 g/mol. Its IUPAC name is (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol.

Molecular Properties

• Compound Name: Androstenediol
• PubChem CID: 10634
• Molecular Formula: C₁₉H₃₀O₂
• Molecular Weight: 290.45 g/mol
• Exact Mass: 290.22
• IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
• SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
• InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: QADHLRWLCPCEKT-LOVVWNRFSA-N
• XLogP: 3.67
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.45
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Androstenediol?

The IUPAC name of Androstenediol (CID 10634) is (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol.

What is the SMILES notation for Androstenediol?

The canonical SMILES for Androstenediol is C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.

What is the InChIKey of Androstenediol?

The InChIKey is QADHLRWLCPCEKT-LOVVWNRFSA-N. The full InChI is InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1.

What are the key properties of Androstenediol?

Androstenediol has a molecular weight of 290.45 g/mol, XLogP of 3.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Androstenediol is sourced from PubChem (CID 10634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10634 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 214 — approved-drug record (CC BY-SA 4.0)

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