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

C25H44O2Si2 — CID 6432275

IUPAC[(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12CCC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)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/h9,17,20-23H,10-16H2,1-8H3/t20?,21?,22?,23-,24?,25?/m0/s1
InChIKeyMLVIKHIRGFETED-KZGNDPOCSA-N
MW432.80 g/mol
LogP7.51
Rot. Bonds4

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

[(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 6432275) has the molecular formula C25H44O2Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID6432275
Molecular FormulaC25H44O2Si2
Molecular Weight432.80 g/mol
Exact Mass432.29
IUPAC Name[(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12CCC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)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/h9,17,20-23H,10-16H2,1-8H3/t20?,21?,22?,23-,24?,25?/m0/s1
InChIKeyMLVIKHIRGFETED-KZGNDPOCSA-N
XLogP7.51
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 ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 6432275) is [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is CC12CCC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C1CC[C@@H]2O[Si](C)(C)C.
What is the InChIKey of [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is MLVIKHIRGFETED-KZGNDPOCSA-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/h9,17,20-23H,10-16H2,1-8H3/t20?,21?,22?,23-,24?,25?/m0/s1.
What are the key properties of [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 432.80 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(17S)-10,13-dimethyl-3-trimethylsilyloxy-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 6432275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).