[(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C25H44O2Si2 — CID 91746950

IUPAC[(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CCC3C(CC[C@@H]4C=C(O[Si](C)(C)C)C=C[C@]34C)C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C25H44O2Si2/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/h13,15,17-18,20-23H,9-12,14,16H2,1-8H3/t18-,20?,21?,22?,23+,24+,25+/m1/s1
InChIKeyMHYUVCDDDLAFJG-LJRGMSBTSA-N
MW432.80 g/mol
LogP7.37
Rot. Bonds4

About [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91746950) has the molecular formula C25H44O2Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID91746950
Molecular FormulaC25H44O2Si2
Molecular Weight432.80 g/mol
Exact Mass432.29
IUPAC Name[(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CCC3C(CC[C@@H]4C=C(O[Si](C)(C)C)C=C[C@]34C)C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C25H44O2Si2/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/h13,15,17-18,20-23H,9-12,14,16H2,1-8H3/t18-,20?,21?,22?,23+,24+,25+/m1/s1
InChIKeyMHYUVCDDDLAFJG-LJRGMSBTSA-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'}

Analyze [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91746950) is [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CCC3C(CC[C@@H]4C=C(O[Si](C)(C)C)C=C[C@]34C)C1CC[C@@H]2O[Si](C)(C)C.
What is the InChIKey of [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is MHYUVCDDDLAFJG-LJRGMSBTSA-N. The full InChI is InChI=1S/C25H44O2Si2/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/h13,15,17-18,20-23H,9-12,14,16H2,1-8H3/t18-,20?,21?,22?,23+,24+,25+/m1/s1.
What are the key properties of [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-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 [(5R,10R,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91746950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).