13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione

C21H28O3Si — CID 632074

IUPAC13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione
SMILESCC12CCC3c4ccc(O[Si](C)(C)C)cc4CC(=O)C3C1CCC2=O
InChIInChI=1S/C21H28O3Si/c1-21-10-9-16-15-6-5-14(24-25(2,3)4)11-13(15)12-18(22)20(16)17(21)7-8-19(21)23/h5-6,11,16-17,20H,7-10,12H2,1-4H3
InChIKeySWZLLIGCDVTNEX-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.50
Rot. Bonds2

About 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione

13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione (PubChem CID 632074) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione.

Molecular Properties

Compound Name13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione
PubChem CID632074
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Name13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione
SMILESCC12CCC3c4ccc(O[Si](C)(C)C)cc4CC(=O)C3C1CCC2=O
InChIInChI=1S/C21H28O3Si/c1-21-10-9-16-15-6-5-14(24-25(2,3)4)11-13(15)12-18(22)20(16)17(21)7-8-19(21)23/h5-6,11,16-17,20H,7-10,12H2,1-4H3
InChIKeySWZLLIGCDVTNEX-UHFFFAOYSA-N
XLogP4.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione with MolForge

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Related Compounds

(8R,9S,13S,14S)-3-hydroxy-13-methyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione
CID 22295748
6-methoxy-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 631010
(8R,9S,13S,14S)-1,13-dimethyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22296484
13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 634458
(8R,9S,13S,14S,15R)-13-methyl-3,15-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22296876
(8S,9S,13S,14R)-3-ethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 51676413
(13S)-13-methyl-3-prop-2-enoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 19590392
(8R,9S,13S,14S)-3-[fluoro(fluoro)methoxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 172516404
(8R,9S,13S,14S)-3-(fluoromethoxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 90272038
13-methyl-3-(trifluoromethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 77305133
trimethyl-[[(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
CID 22296261
(13S)-3-[2-[[dimethyl-[2-methyl-1-[[(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]propan-2-yl]silyl]oxy-dimethylsilyl]-2-methylpropoxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 66960288

Frequently Asked Questions

What is the IUPAC name of 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione?
The IUPAC name of 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione (CID 632074) is 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione.
What is the SMILES notation for 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione?
The canonical SMILES for 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione is CC12CCC3c4ccc(O[Si](C)(C)C)cc4CC(=O)C3C1CCC2=O.
What is the InChIKey of 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione?
The InChIKey is SWZLLIGCDVTNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-21-10-9-16-15-6-5-14(24-25(2,3)4)11-13(15)12-18(22)20(16)17(21)7-8-19(21)23/h5-6,11,16-17,20H,7-10,12H2,1-4H3.
What are the key properties of 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione?
13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione has a molecular weight of 356.54 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-3-trimethylsilyloxy-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione is sourced from PubChem (CID 632074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).