10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane

C33H60O — CID 142158678

About 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane

10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane (PubChem CID 142158678) has the molecular formula C33H60O and a molecular weight of 472.84 g/mol. Its IUPAC name is 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane.

Molecular Properties

• Compound Name: 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane
• PubChem CID: 142158678
• Molecular Formula: C33H60O
• Molecular Weight: 472.84 g/mol
• Exact Mass: 472.46
• IUPAC Name: 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane
• SMILES: C=C(CCCC1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)C.CC.CC(C)C
• InChI: InChI=1S/C27H44O.C4H10.C2H6/c1-18(2)19(3)7-6-8-20-10-12-24-23-11-9-21-17-22(28)13-15-27(21,5)25(23)14-16-26(20,24)4;1-4(2)3;1-2/h11,18,20-22,24-25,28H,3,6-10,12-17H2,1-2,4-5H3;4H,1-3H3;1-2H3
• InChIKey: YTTUOLFWEINDCC-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.84
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	1
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 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane?

The IUPAC name of 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane (CID 142158678) is 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane.

What is the SMILES notation for 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane?

The canonical SMILES for 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane is C=C(CCCC1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)C.CC.CC(C)C.

What is the InChIKey of 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane?

The InChIKey is YTTUOLFWEINDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O.C4H10.C2H6/c1-18(2)19(3)7-6-8-20-10-12-24-23-11-9-21-17-22(28)13-15-27(21,5)25(23)14-16-26(20,24)4;1-4(2)3;1-2/h11,18,20-22,24-25,28H,3,6-10,12-17H2,1-2,4-5H3;4H,1-3H3;1-2H3.

What are the key properties of 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane?

10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane has a molecular weight of 472.84 g/mol, XLogP of 10.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10,13-dimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane;2-methylpropane is sourced from PubChem (CID 142158678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).