[10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

C33H60O2Si2 — CID 6427406

About [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

[10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane (PubChem CID 6427406) has the molecular formula C33H60O2Si2 and a molecular weight of 545.01 g/mol. Its IUPAC name is [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
• PubChem CID: 6427406
• Molecular Formula: C33H60O2Si2
• Molecular Weight: 545.01 g/mol
• Exact Mass: 544.41
• IUPAC Name: [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
• SMILES: C[C@@H](CCCC(C)(C)O[Si](C)(C)C)C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CCC4(C)C3CCC21C
• InChI: InChI=1S/C33H60O2Si2/c1-24(13-12-20-31(2,3)35-37(9,10)11)28-16-17-29-27-15-14-25-23-26(34-36(6,7)8)18-21-32(25,4)30(27)19-22-33(28,29)5/h18,23-24,27-30H,12-17,19-22H2,1-11H3/t24-,27?,28?,29?,30?,32?,33?/m0/s1
• InChIKey: PVFLZIUPQZDUOQ-VVBYMBAGSA-N
• XLogP: 10.35
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.01
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

The IUPAC name of [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane (CID 6427406) is [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane.

What is the SMILES notation for [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

The canonical SMILES for [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane is C[C@@H](CCCC(C)(C)O[Si](C)(C)C)C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CCC4(C)C3CCC21C.

What is the InChIKey of [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

The InChIKey is PVFLZIUPQZDUOQ-VVBYMBAGSA-N. The full InChI is InChI=1S/C33H60O2Si2/c1-24(13-12-20-31(2,3)35-37(9,10)11)28-16-17-29-27-15-14-25-23-26(34-36(6,7)8)18-21-32(25,4)30(27)19-22-33(28,29)5/h18,23-24,27-30H,12-17,19-22H2,1-11H3/t24-,27?,28?,29?,30?,32?,33?/m0/s1.

What are the key properties of [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?

[10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane has a molecular weight of 545.01 g/mol, XLogP of 10.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [10,13-dimethyl-17-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 6427406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).