tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate

C26H35NO3Si — CID 164671045

IUPACtert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(O[Si](C)(C)C(C)(C)C)c(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C26H35NO3Si/c1-25(2,3)29-24(28)27-22-17-13-12-16-20(22)21(18-19-14-10-9-11-15-19)23(27)30-31(7,8)26(4,5)6/h9-17H,18H2,1-8H3
InChIKeyYWPQONFCDBVCQY-UHFFFAOYSA-N
MW437.66 g/mol
LogP7.40
Rot. Bonds4

About tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate

tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate (PubChem CID 164671045) has the molecular formula C26H35NO3Si and a molecular weight of 437.66 g/mol. Its IUPAC name is tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
PubChem CID164671045
Molecular FormulaC26H35NO3Si
Molecular Weight437.66 g/mol
Exact Mass437.24
IUPAC Nametert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(O[Si](C)(C)C(C)(C)C)c(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C26H35NO3Si/c1-25(2,3)29-24(28)27-22-17-13-12-16-20(22)21(18-19-14-10-9-11-15-19)23(27)30-31(7,8)26(4,5)6/h9-17H,18H2,1-8H3
InChIKeyYWPQONFCDBVCQY-UHFFFAOYSA-N
XLogP7.40
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.66
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate
CID 102225154
tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
CID 84819280
1-O-tert-butyl 2-O-methyl 3-(hydroxymethyl)indole-1,2-dicarboxylate
CID 177415354
tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 118368388
tert-butyl 3-[(4-methoxycarbonylphenyl)methyl]-2-(morpholin-4-ylmethyl)indole-1-carboxylate
CID 118211661
tert-butyl 2,3-dichloroindole-1-carboxylate
CID 122227437
tert-butyl pyrido[2,3-b]indole-9-carboxylate
CID 141177264
tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
CID 44552230
tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
CID 162263594
tert-butyl 2-bromo-3-carbamoylindole-1-carboxylate
CID 175318804
[[3-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-di(propan-2-yloxy)methyl]-oxophosphanium
CID 173017694
2-[9-[(2-methylpropan-2-yl)oxycarbonyl]pyrido[3,4-b]indol-3-yl]acetic acid
CID 174682016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
The IUPAC name of tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate (CID 164671045) is tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate is CC(C)(C)OC(=O)n1c(O[Si](C)(C)C(C)(C)C)c(Cc2ccccc2)c2ccccc21.
What is the InChIKey of tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
The InChIKey is YWPQONFCDBVCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO3Si/c1-25(2,3)29-24(28)27-22-17-13-12-16-20(22)21(18-19-14-10-9-11-15-19)23(27)30-31(7,8)26(4,5)6/h9-17H,18H2,1-8H3.
What are the key properties of tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate has a molecular weight of 437.66 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-benzyl-2-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate is sourced from PubChem (CID 164671045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).