2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

C24H34O — CID 143022967

About 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (PubChem CID 143022967) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.

Molecular Properties

• Compound Name: 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
• PubChem CID: 143022967
• Molecular Formula: C24H34O
• Molecular Weight: 338.54 g/mol
• Exact Mass: 338.26
• IUPAC Name: 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
• SMILES: C=CCc1cc2c(cc1OCC)C1CCC3(C)C(C)CCC3C1CC2
• InChI: InChI=1S/C24H34O/c1-5-7-18-14-17-9-10-20-19(21(17)15-23(18)25-6-2)12-13-24(4)16(3)8-11-22(20)24/h5,14-16,19-20,22H,1,6-13H2,2-4H3
• InChIKey: TUGPEJQKJQSYGQ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.54
LogP ≤ 5	6.31
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 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?

The IUPAC name of 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (CID 143022967) is 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.

What is the SMILES notation for 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?

The canonical SMILES for 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is C=CCc1cc2c(cc1OCC)C1CCC3(C)C(C)CCC3C1CC2.

What is the InChIKey of 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?

The InChIKey is TUGPEJQKJQSYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-5-7-18-14-17-9-10-20-19(21(17)15-23(18)25-6-2)12-13-24(4)16(3)8-11-22(20)24/h5,14-16,19-20,22H,1,6-13H2,2-4H3.

What are the key properties of 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?

2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene has a molecular weight of 338.54 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-13,17-dimethyl-3-prop-2-enyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 143022967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).