10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione

C25H38O4Si — CID 66713942

IUPAC10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
SMILESCC12CCC3C(CC(=O)C4CC(=O)CCC43CO[Si](C)(C)C(C)(C)C)C1C=CC2=O
InChIInChI=1S/C25H38O4Si/c1-23(2,3)30(5,6)29-15-25-12-9-16(26)13-20(25)21(27)14-17-18-7-8-22(28)24(18,4)11-10-19(17)25/h7-8,17-20H,9-15H2,1-6H3
InChIKeyYAZTXXQREUFYPO-UHFFFAOYSA-N
MW430.66 g/mol
LogP5.12
Rot. Bonds3

About 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione

10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione (PubChem CID 66713942) has the molecular formula C25H38O4Si and a molecular weight of 430.66 g/mol. Its IUPAC name is 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione.

Molecular Properties

Compound Name10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
PubChem CID66713942
Molecular FormulaC25H38O4Si
Molecular Weight430.66 g/mol
Exact Mass430.25
IUPAC Name10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
SMILESCC12CCC3C(CC(=O)C4CC(=O)CCC43CO[Si](C)(C)C(C)(C)C)C1C=CC2=O
InChIInChI=1S/C25H38O4Si/c1-23(2,3)30(5,6)29-15-25-12-9-16(26)13-20(25)21(27)14-17-18-7-8-22(28)24(18,4)11-10-19(17)25/h7-8,17-20H,9-15H2,1-6H3
InChIKeyYAZTXXQREUFYPO-UHFFFAOYSA-N
XLogP5.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

(8R,9R,10R,13S,14S)-13-methyl-10-(trimethylsilyloxymethyl)-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 70614740
(7R,8R,9S,10S,13S,14S)-7,10,13-trimethyl-2,4,5,6,7,8,9,11,12,14-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 154113253
(8R,9S,10R,13S,14S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 71477254
methyl (1R,2R,9S,12R,16R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-12-methyl-5-oxo-10-azatetracyclo[7.6.1.02,7.012,16]hexadec-6-ene-10-carboxylate
CID 24751524
[(1R,2S,5S,9S,10R,12R,13R)-5-methyl-6,15-dioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadec-7-en-13-yl] acetate
CID 154370044
(7R,8R,9S,10S,13R,14S,17R)-17-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 91415059
(5R,8S,9R,10R,13S,14R)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-17-one
CID 125027877
17-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 91718151
(3aS,7aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7a-dimethyl-2,3,4,5-tetrahydroinden-1-one
CID 11130650
(8R,9S,10S,13S,14S,17S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-17-hydroxy-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 10716931
8,10a,12a-trimethyl-3b,4,5,9,10,10b,11,12-octahydro-3aH-indeno[4,5-i][3]benzazepine-1,7-dione
CID 77405243
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212

Frequently Asked Questions

What is the IUPAC name of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione?
The IUPAC name of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione (CID 66713942) is 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione.
What is the SMILES notation for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione?
The canonical SMILES for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione is CC12CCC3C(CC(=O)C4CC(=O)CCC43CO[Si](C)(C)C(C)(C)C)C1C=CC2=O.
What is the InChIKey of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione?
The InChIKey is YAZTXXQREUFYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O4Si/c1-23(2,3)30(5,6)29-15-25-12-9-16(26)13-20(25)21(27)14-17-18-7-8-22(28)24(18,4)11-10-19(17)25/h7-8,17-20H,9-15H2,1-6H3.
What are the key properties of 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione?
10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione has a molecular weight of 430.66 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-1,2,4,5,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-3,6,17-trione is sourced from PubChem (CID 66713942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).