17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

C32H56O2 — CID 142332770

About 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 142332770) has the molecular formula C32H56O2 and a molecular weight of 472.80 g/mol. Its IUPAC name is 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• PubChem CID: 142332770
• Molecular Formula: C32H56O2
• Molecular Weight: 472.80 g/mol
• Exact Mass: 472.43
• IUPAC Name: 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• SMILES: CC(C)(C)C1CCC(O)(CCCC2CCC3C4CCC5CC(O)CCC5(C)C4CCC23C)CC1
• InChI: InChI=1S/C32H56O2/c1-29(2,3)22-12-19-32(34,20-13-22)16-6-7-23-9-11-27-26-10-8-24-21-25(33)14-17-31(24,5)28(26)15-18-30(23,27)4/h22-28,33-34H,6-21H2,1-5H3
• InChIKey: HAVHYNQYCXFXHP-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.80
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The IUPAC name of 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 142332770) is 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the SMILES notation for 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The canonical SMILES for 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is CC(C)(C)C1CCC(O)(CCCC2CCC3C4CCC5CC(O)CCC5(C)C4CCC23C)CC1.

What is the InChIKey of 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The InChIKey is HAVHYNQYCXFXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O2/c1-29(2,3)22-12-19-32(34,20-13-22)16-6-7-23-9-11-27-26-10-8-24-21-25(33)14-17-31(24,5)28(26)15-18-30(23,27)4/h22-28,33-34H,6-21H2,1-5H3.

What are the key properties of 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?

17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 472.80 g/mol, XLogP of 8.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[3-(4-tert-butyl-1-hydroxycyclohexyl)propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 142332770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).