methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate

C16H25NO3Si — CID 167736298

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)C1Cc2c(cccc2O[Si](C)(C)C(C)(C)C)N1
InChIInChI=1S/C16H25NO3Si/c1-16(2,3)21(5,6)20-14-9-7-8-12-11(14)10-13(17-12)15(18)19-4/h7-9,13,17H,10H2,1-6H3
InChIKeyFCKWQTXKAYCRJQ-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.58
Rot. Bonds3

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 167736298) has the molecular formula C16H25NO3Si and a molecular weight of 307.47 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID167736298
Molecular FormulaC16H25NO3Si
Molecular Weight307.47 g/mol
Exact Mass307.16
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)C1Cc2c(cccc2O[Si](C)(C)C(C)(C)C)N1
InChIInChI=1S/C16H25NO3Si/c1-16(2,3)21(5,6)20-14-9-7-8-12-11(14)10-13(17-12)15(18)19-4/h7-9,13,17H,10H2,1-6H3
InChIKeyFCKWQTXKAYCRJQ-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
4-tert-butyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 84786777
[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate
CID 102019933
dimethyl (5R,9S)-16-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5,9-dicarboxylate
CID 56610338
tert-butyl-dimethyl-(1,2,3,4-tetrahydroisoquinolin-8-yloxy)silane
CID 167736770
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
methyl (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-4-cyclopropylbut-2-enoate
CID 67429097
methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate
CID 58782322
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 67722375
[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate
CID 6430582
methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate
CID 50992564

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate (CID 167736298) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate is COC(=O)C1Cc2c(cccc2O[Si](C)(C)C(C)(C)C)N1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is FCKWQTXKAYCRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3Si/c1-16(2,3)21(5,6)20-14-9-7-8-12-11(14)10-13(17-12)15(18)19-4/h7-9,13,17H,10H2,1-6H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 307.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 167736298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).