10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

C25H42O3Si — CID 77450143

IUPAC10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC3C(CCC4CC(=O)CCC43CO[Si](C)(C)C(C)(C)C)C1CCC2=O
InChIInChI=1S/C25H42O3Si/c1-23(2,3)29(5,6)28-16-25-14-11-18(26)15-17(25)7-8-19-20-9-10-22(27)24(20,4)13-12-21(19)25/h17,19-21H,7-16H2,1-6H3
InChIKeyBBKLLJVEJLKMGR-UHFFFAOYSA-N
MW418.69 g/mol
LogP6.17
Rot. Bonds3

About 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 77450143) has the molecular formula C25H42O3Si and a molecular weight of 418.69 g/mol. Its IUPAC name is 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID77450143
Molecular FormulaC25H42O3Si
Molecular Weight418.69 g/mol
Exact Mass418.29
IUPAC Name10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC3C(CCC4CC(=O)CCC43CO[Si](C)(C)C(C)(C)C)C1CCC2=O
InChIInChI=1S/C25H42O3Si/c1-23(2,3)29(5,6)28-16-25-14-11-18(26)15-17(25)7-8-19-20-9-10-22(27)24(20,4)13-12-21(19)25/h17,19-21H,7-16H2,1-6H3
InChIKeyBBKLLJVEJLKMGR-UHFFFAOYSA-N
XLogP6.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (CID 77450143) is 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is CC12CCC3C(CCC4CC(=O)CCC43CO[Si](C)(C)C(C)(C)C)C1CCC2=O.
What is the InChIKey of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is BBKLLJVEJLKMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O3Si/c1-23(2,3)29(5,6)28-16-25-14-11-18(26)15-17(25)7-8-19-20-9-10-22(27)24(20,4)13-12-21(19)25/h17,19-21H,7-16H2,1-6H3.
What are the key properties of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 418.69 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 77450143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).