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

C30H50O — CID 143873558

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

ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 143873558) has the molecular formula C30H50O and a molecular weight of 426.73 g/mol. Its IUPAC name is ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• PubChem CID: 143873558
• Molecular Formula: C30H50O
• Molecular Weight: 426.73 g/mol
• Exact Mass: 426.39
• IUPAC Name: ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• SMILES: C=C(CCCC1CCC2C3=CCC4C(C)C(O)CCC4(C)C3=CCC12C)C(C)C.CC
• InChI: InChI=1S/C28H44O.C2H6/c1-18(2)19(3)8-7-9-21-10-12-24-22-11-13-23-20(4)26(29)15-17-28(23,6)25(22)14-16-27(21,24)5;1-2/h11,14,18,20-21,23-24,26,29H,3,7-10,12-13,15-17H2,1-2,4-6H3;1-2H3
• InChIKey: WESCVINGXHBCKV-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.73
LogP ≤ 5	8.50
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 ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol?

The IUPAC name of ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 143873558) is ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

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

The canonical SMILES for ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol is C=C(CCCC1CCC2C3=CCC4C(C)C(O)CCC4(C)C3=CCC12C)C(C)C.CC.

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

The InChIKey is WESCVINGXHBCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O.C2H6/c1-18(2)19(3)8-7-9-21-10-12-24-22-11-13-23-20(4)26(29)15-17-28(23,6)25(22)14-16-27(21,24)5;1-2/h11,14,18,20-21,23-24,26,29H,3,7-10,12-13,15-17H2,1-2,4-6H3;1-2H3.

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

ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 426.73 g/mol, XLogP of 8.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4,10,13-trimethyl-17-(5-methyl-4-methylidenehexyl)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 143873558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).