[2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate

C33H50O5 — CID 154694718

About [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate

[2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate (PubChem CID 154694718) has the molecular formula C33H50O5 and a molecular weight of 526.76 g/mol. Its IUPAC name is [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate.

Molecular Properties

• Compound Name: [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate
• PubChem CID: 154694718
• Molecular Formula: C33H50O5
• Molecular Weight: 526.76 g/mol
• Exact Mass: 526.37
• IUPAC Name: [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate
• SMILES: CC(C)OC1CC2(C)C(C(=O)COC(=O)C(C)(C)CC(C)(C)C)CCC2C2CCC3=CC(=O)C=CC3(C)C12
• InChI: InChI=1S/C33H50O5/c1-20(2)38-27-17-33(9)24(23-11-10-21-16-22(34)14-15-32(21,8)28(23)27)12-13-25(33)26(35)18-37-29(36)31(6,7)19-30(3,4)5/h14-16,20,23-25,27-28H,10-13,17-19H2,1-9H3
• InChIKey: DEDQPUKKNNPXHV-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 69.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.76
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate?

The IUPAC name of [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate (CID 154694718) is [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate.

What is the SMILES notation for [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate?

The canonical SMILES for [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate is CC(C)OC1CC2(C)C(C(=O)COC(=O)C(C)(C)CC(C)(C)C)CCC2C2CCC3=CC(=O)C=CC3(C)C12.

What is the InChIKey of [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate?

The InChIKey is DEDQPUKKNNPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50O5/c1-20(2)38-27-17-33(9)24(23-11-10-21-16-22(34)14-15-32(21,8)28(23)27)12-13-25(33)26(35)18-37-29(36)31(6,7)19-30(3,4)5/h14-16,20,23-25,27-28H,10-13,17-19H2,1-9H3.

What are the key properties of [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate?

[2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate has a molecular weight of 526.76 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(10,13-dimethyl-3-oxo-11-propan-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 154694718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).