[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate

C14H22O3Si — CID 87809694

IUPAC[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate
SMILES[2H]c1ccc(OC)c(C(=O)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-13(15)11-9-7-8-10-12(11)16-4/h7-10H,1-6H3/i7D
InChIKeyGXWNNIVCHZNQAT-WHRKIXHSSA-N
MW267.42 g/mol
LogP3.86
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate

[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate (PubChem CID 87809694) has the molecular formula C14H22O3Si and a molecular weight of 267.42 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate
PubChem CID87809694
Molecular FormulaC14H22O3Si
Molecular Weight267.42 g/mol
Exact Mass267.14
IUPAC Name[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate
SMILES[2H]c1ccc(OC)c(C(=O)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-13(15)11-9-7-8-10-12(11)16-4/h7-10H,1-6H3/i7D
InChIKeyGXWNNIVCHZNQAT-WHRKIXHSSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
[tert-butyl(dimethyl)silyl] 2-(2,2,3,3,3-pentafluoropropanoyloxy)benzoate
CID 91754061
[tert-butyl(dimethyl)silyl] 2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)benzoate
CID 91744562
[tert-butyl(dimethyl)silyl] 2-sulfanylbenzoate
CID 554841
2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 91694142
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
CID 91738957
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
ethane;methyl 2-methoxybenzoate
CID 178037044
[tert-butyl(dimethyl)silyl] 4-isocyanobenzoate
CID 88538948
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate
CID 18992073
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate (CID 87809694) is [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate is [2H]c1ccc(OC)c(C(=O)O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate?
The InChIKey is GXWNNIVCHZNQAT-WHRKIXHSSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-13(15)11-9-7-8-10-12(11)16-4/h7-10H,1-6H3/i7D.
What are the key properties of [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate?
[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate has a molecular weight of 267.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate is sourced from PubChem (CID 87809694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).