11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol

C32H44O3 — CID 123683667

About 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol

11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol (PubChem CID 123683667) has the molecular formula C32H44O3 and a molecular weight of 476.70 g/mol. Its IUPAC name is 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol.

Molecular Properties

• Compound Name: 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol
• PubChem CID: 123683667
• Molecular Formula: C32H44O3
• Molecular Weight: 476.70 g/mol
• Exact Mass: 476.33
• IUPAC Name: 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol
• SMILES: C=Cc1ccc(C2CC3(C)C(C)CCC3C3CCC4(O)CC5(CCC4=C23)OCC(C)(C)CO5)cc1
• InChI: InChI=1S/C32H44O3/c1-6-22-8-10-23(11-9-22)25-17-30(5)21(2)7-12-26(30)24-13-15-31(33)18-32(16-14-27(31)28(24)25)34-19-29(3,4)20-35-32/h6,8-11,21,24-26,33H,1,7,12-20H2,2-5H3
• InChIKey: LUVKTKXVYGOPRU-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.70
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol?

The IUPAC name of 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol (CID 123683667) is 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol.

What is the SMILES notation for 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol?

The canonical SMILES for 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol is C=Cc1ccc(C2CC3(C)C(C)CCC3C3CCC4(O)CC5(CCC4=C23)OCC(C)(C)CO5)cc1.

What is the InChIKey of 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol?

The InChIKey is LUVKTKXVYGOPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44O3/c1-6-22-8-10-23(11-9-22)25-17-30(5)21(2)7-12-26(30)24-13-15-31(33)18-32(16-14-27(31)28(24)25)34-19-29(3,4)20-35-32/h6,8-11,21,24-26,33H,1,7,12-20H2,2-5H3.

What are the key properties of 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol?

11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol has a molecular weight of 476.70 g/mol, XLogP of 7.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-ethenylphenyl)-5',5',13,17-tetramethylspiro[1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-5-ol is sourced from PubChem (CID 123683667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).