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

C25H42O2Si2 — CID 91748393

IUPAC[(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C25H42O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,13,15,17,20-23H,10-12,14,16H2,1-8H3/t20?,21?,22?,23-,24-,25-/m0/s1
InChIKeyRUDKDGLQEXQLPE-BJKDWGEJSA-N
MW430.78 g/mol
LogP7.29
Rot. Bonds4

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

[(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91748393) has the molecular formula C25H42O2Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID91748393
Molecular FormulaC25H42O2Si2
Molecular Weight430.78 g/mol
Exact Mass430.27
IUPAC Name[(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C25H42O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,13,15,17,20-23H,10-12,14,16H2,1-8H3/t20?,21?,22?,23-,24-,25-/m0/s1
InChIKeyRUDKDGLQEXQLPE-BJKDWGEJSA-N
XLogP7.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91748393) is [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12C=CC(O[Si](C)(C)C)=CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2O[Si](C)(C)C.
What is the InChIKey of [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is RUDKDGLQEXQLPE-BJKDWGEJSA-N. The full InChI is InChI=1S/C25H42O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,13,15,17,20-23H,10-12,14,16H2,1-8H3/t20?,21?,22?,23-,24-,25-/m0/s1.
What are the key properties of [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 430.78 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91748393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).