15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane

C27H48O2 — CID 167489997

About 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane

15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane (PubChem CID 167489997) has the molecular formula C27H48O2 and a molecular weight of 404.68 g/mol. Its IUPAC name is 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane.

Molecular Properties

• Compound Name: 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane
• PubChem CID: 167489997
• Molecular Formula: C27H48O2
• Molecular Weight: 404.68 g/mol
• Exact Mass: 404.37
• IUPAC Name: 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane
• SMILES: CC.CC(CO)C1CC(C2CC2)C2C3CCC4CC(O)CCC4(C)C3CCC12C
• InChI: InChI=1S/C25H42O2.C2H6/c1-15(14-26)22-13-20(16-4-5-16)23-19-7-6-17-12-18(27)8-10-24(17,2)21(19)9-11-25(22,23)3;1-2/h15-23,26-27H,4-14H2,1-3H3;1-2H3
• InChIKey: ISRZRXKDAKPUOP-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.68
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane (CID 167489997) is 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane.

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

The canonical SMILES for 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane is CC.CC(CO)C1CC(C2CC2)C2C3CCC4CC(O)CCC4(C)C3CCC12C.

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

The InChIKey is ISRZRXKDAKPUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2.C2H6/c1-15(14-26)22-13-20(16-4-5-16)23-19-7-6-17-12-18(27)8-10-24(17,2)21(19)9-11-25(22,23)3;1-2/h15-23,26-27H,4-14H2,1-3H3;1-2H3.

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

15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane has a molecular weight of 404.68 g/mol, XLogP of 6.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-cyclopropyl-17-(1-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane is sourced from PubChem (CID 167489997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).