1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane

C25H42O — CID 142920034

About 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane

1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane (PubChem CID 142920034) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane.

Molecular Properties

• Compound Name: 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane
• PubChem CID: 142920034
• Molecular Formula: C25H42O
• Molecular Weight: 358.61 g/mol
• Exact Mass: 358.32
• IUPAC Name: 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane
• SMILES: CC.CC.CC(=O)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C
• InChI: InChI=1S/C21H30O.2C2H6/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3;2*1-2/h7,9,16,18-19H,4-6,8,10-13H2,1-3H3;2*1-2H3
• InChIKey: QDOFXTIZCIXSMD-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.61
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
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 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane?

The IUPAC name of 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane (CID 142920034) is 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane.

What is the SMILES notation for 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane?

The canonical SMILES for 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane is CC.CC.CC(=O)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C.

What is the InChIKey of 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane?

The InChIKey is QDOFXTIZCIXSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O.2C2H6/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3;2*1-2/h7,9,16,18-19H,4-6,8,10-13H2,1-3H3;2*1-2H3.

What are the key properties of 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane?

1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane has a molecular weight of 358.61 g/mol, XLogP of 7.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;ethane is sourced from PubChem (CID 142920034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).