[(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C25H44O2Si2 — CID 22214269

IUPAC[(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]12
InChIInChI=1S/C25H44O2Si2/c1-24-16-10-9-11-18(24)12-13-19-20-14-15-22(27-29(6,7)8)25(20,2)17-21(23(19)24)26-28(3,4)5/h9-10,15,18-21,23H,11-14,16-17H2,1-8H3/t18-,19+,20+,21+,23-,24+,25+/m1/s1
InChIKeyCQKWROIPXFAXPJ-YDLWURSQSA-N
MW432.80 g/mol
LogP7.37
Rot. Bonds4

About [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 22214269) has the molecular formula C25H44O2Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID22214269
Molecular FormulaC25H44O2Si2
Molecular Weight432.80 g/mol
Exact Mass432.29
IUPAC Name[(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]12
InChIInChI=1S/C25H44O2Si2/c1-24-16-10-9-11-18(24)12-13-19-20-14-15-22(27-29(6,7)8)25(20,2)17-21(23(19)24)26-28(3,4)5/h9-10,15,18-21,23H,11-14,16-17H2,1-8H3/t18-,19+,20+,21+,23-,24+,25+/m1/s1
InChIKeyCQKWROIPXFAXPJ-YDLWURSQSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.80
LogP ≤ 57.37
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 [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 22214269) is [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CC[C@@H]12.
What is the InChIKey of [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is CQKWROIPXFAXPJ-YDLWURSQSA-N. The full InChI is InChI=1S/C25H44O2Si2/c1-24-16-10-9-11-18(24)12-13-19-20-14-15-22(27-29(6,7)8)25(20,2)17-21(23(19)24)26-28(3,4)5/h9-10,15,18-21,23H,11-14,16-17H2,1-8H3/t18-,19+,20+,21+,23-,24+,25+/m1/s1.
What are the key properties of [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 432.80 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,8S,9S,10S,11S,13S,14S)-10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 22214269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).