Dimethisterone

C₂₃H₃₂O₂ — CID 6607

About Dimethisterone

Dimethisterone (PubChem CID 6607) has the molecular formula C₂₃H₃₂O₂ and a molecular weight of 340.51 g/mol. Its IUPAC name is (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

• Compound Name: Dimethisterone
• PubChem CID: 6607
• Molecular Formula: C₂₃H₃₂O₂
• Molecular Weight: 340.51 g/mol
• Exact Mass: 340.24
• IUPAC Name: (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
• SMILES: CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
• InChI: InChI=1S/C23H32O2/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4/h14-15,17-19,25H,6-8,10-13H2,1-4H3/t15-,17+,18-,19-,21+,22-,23-/m0/s1
• InChIKey: LVHOURKCKUYIGK-RGUJTQARSA-N
• XLogP: 4.52
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.51
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dimethisterone?

The IUPAC name of Dimethisterone (CID 6607) is (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

What is the SMILES notation for Dimethisterone?

The canonical SMILES for Dimethisterone is CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.

What is the InChIKey of Dimethisterone?

The InChIKey is LVHOURKCKUYIGK-RGUJTQARSA-N. The full InChI is InChI=1S/C23H32O2/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4/h14-15,17-19,25H,6-8,10-13H2,1-4H3/t15-,17+,18-,19-,21+,22-,23-/m0/s1.

What are the key properties of Dimethisterone?

Dimethisterone has a molecular weight of 340.51 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethisterone is sourced from PubChem (CID 6607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6607 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 904 — approved-drug record (CC BY-SA 4.0)

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