(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 553189

IUPAC(10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
SMILESCC12CC(O[Si](C)(C)C)C3C(CCC4CC=CCC43C)C1CC=C2O[Si](C)(C)C
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
InChIKeyCQKWROIPXFAXPJ-UHFFFAOYSA-N
MW432.80 g/mol
LogP7.37
Rot. Bonds4

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

(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 553189) has the molecular formula C25H44O2Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is (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(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 CID553189
Molecular FormulaC25H44O2Si2
Molecular Weight432.80 g/mol
Exact Mass432.29
IUPAC Name(10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
SMILESCC12CC(O[Si](C)(C)C)C3C(CCC4CC=CCC43C)C1CC=C2O[Si](C)(C)C
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
InChIKeyCQKWROIPXFAXPJ-UHFFFAOYSA-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 (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 (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 (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 553189) is (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 (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 (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 CC12CC(O[Si](C)(C)C)C3C(CCC4CC=CCC43C)C1CC=C2O[Si](C)(C)C.
What is the InChIKey of (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-UHFFFAOYSA-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.
What are the key properties of (10,13-dimethyl-11-trimethylsilyloxy-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?
(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 (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 553189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).