4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid

C36H70N2O6Si3 — CID 160835973

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CCC(=O)CC1.CC1(CO[Si](C)(C)C(C)(C)C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1
InChIInChI=1S/C22H42N2O4Si2.C14H28O2Si/c1-21(2,3)30(8,9)28-15-22(4)11-10-17-18(14-22)24(23-19(17)20(25)26)16-27-12-13-29(5,6)7;1-13(2,3)17(5,6)16-11-14(4)9-7-12(15)8-10-14/h10-16H2,1-9H3,(H,25,26);7-11H2,1-6H3
InChIKeySHKLEWGXVDTLQG-UHFFFAOYSA-N
MW711.22 g/mol
LogP9.57
Rot. Bonds12

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 160835973) has the molecular formula C36H70N2O6Si3 and a molecular weight of 711.22 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID160835973
Molecular FormulaC36H70N2O6Si3
Molecular Weight711.22 g/mol
Exact Mass710.45
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(CO[Si](C)(C)C(C)(C)C)CCC(=O)CC1.CC1(CO[Si](C)(C)C(C)(C)C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1
InChIInChI=1S/C22H42N2O4Si2.C14H28O2Si/c1-21(2,3)30(8,9)28-15-22(4)11-10-17-18(14-22)24(23-19(17)20(25)26)16-27-12-13-29(5,6)7;1-13(2,3)17(5,6)16-11-14(4)9-7-12(15)8-10-14/h10-16H2,1-9H3,(H,25,26);7-11H2,1-6H3
InChIKeySHKLEWGXVDTLQG-UHFFFAOYSA-N
XLogP9.57
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.22
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid
CID 90037885
2-oxaspiro[3.5]nonan-7-one;1-(2-trimethylsilylethoxymethyl)spiro[6,7-dihydro-4H-indazole-5,3'-oxetane]-3-carboxylic acid
CID 161423434
1-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 90037130
1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 158784388
5-(2-trimethylsilylethoxymethyl)-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxylic acid
CID 90037045
methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-5-methylcyclohexene-1-carboxylate
CID 162372938
N-[1-(2-hydroxy-1-phenylethyl)pyrazol-4-yl]-6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxamide
CID 131742689
6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
CID 162014645
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-amine;N-[1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 160942325
tert-butyl 3-(8-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 150028180
6,6-dimethyl-N-[1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-amine
CID 159867358

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid (CID 160835973) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid is CC1(CO[Si](C)(C)C(C)(C)C)CCC(=O)CC1.CC1(CO[Si](C)(C)C(C)(C)C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is SHKLEWGXVDTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O4Si2.C14H28O2Si/c1-21(2,3)30(8,9)28-15-22(4)11-10-17-18(14-22)24(23-19(17)20(25)26)16-27-12-13-29(5,6)7;1-13(2,3)17(5,6)16-11-14(4)9-7-12(15)8-10-14/h10-16H2,1-9H3,(H,25,26);7-11H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 711.22 g/mol, XLogP of 9.57, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 160835973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).