[(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C25H46O2Si2 — CID 91753791

IUPAC[(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12C[C@@H](O[Si](C)(C)C)CCC1=CCC1C2CCC2(C)C1CC[C@H]2O[Si](C)(C)C
InChIInChI=1S/C25H46O2Si2/c1-24-16-15-22-20(21(24)13-14-23(24)27-29(6,7)8)12-10-18-9-11-19(17-25(18,22)2)26-28(3,4)5/h10,19-23H,9,11-17H2,1-8H3/t19-,20?,21?,22?,23+,24?,25?/m0/s1
InChIKeyXRJBXQOPLLVGGE-WZYQKNPPSA-N
MW434.81 g/mol
LogP7.39
Rot. Bonds4

About [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91753791) has the molecular formula C25H46O2Si2 and a molecular weight of 434.81 g/mol. Its IUPAC name is [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID91753791
Molecular FormulaC25H46O2Si2
Molecular Weight434.81 g/mol
Exact Mass434.30
IUPAC Name[(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12C[C@@H](O[Si](C)(C)C)CCC1=CCC1C2CCC2(C)C1CC[C@H]2O[Si](C)(C)C
InChIInChI=1S/C25H46O2Si2/c1-24-16-15-22-20(21(24)13-14-23(24)27-29(6,7)8)12-10-18-9-11-19(17-25(18,22)2)26-28(3,4)5/h10,19-23H,9,11-17H2,1-8H3/t19-,20?,21?,22?,23+,24?,25?/m0/s1
InChIKeyXRJBXQOPLLVGGE-WZYQKNPPSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91753791) is [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is CC12C[C@@H](O[Si](C)(C)C)CCC1=CCC1C2CCC2(C)C1CC[C@H]2O[Si](C)(C)C.
What is the InChIKey of [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is XRJBXQOPLLVGGE-WZYQKNPPSA-N. The full InChI is InChI=1S/C25H46O2Si2/c1-24-16-15-22-20(21(24)13-14-23(24)27-29(6,7)8)12-10-18-9-11-19(17-25(18,22)2)26-28(3,4)5/h10,19-23H,9,11-17H2,1-8H3/t19-,20?,21?,22?,23+,24?,25?/m0/s1.
What are the key properties of [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 434.81 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,17R)-10,13-dimethyl-2-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91753791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).