bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate

C20H34O4Si2 — CID 630744

IUPACbis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16(15)18(22)24-26(9,10)20(4,5)6/h11-14H,1-10H3
InChIKeyRUGOPMVYGOPNSG-UHFFFAOYSA-N
MW394.66 g/mol
LogP6.01
Rot. Bonds4

About bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate

bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate (PubChem CID 630744) has the molecular formula C20H34O4Si2 and a molecular weight of 394.66 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
PubChem CID630744
Molecular FormulaC20H34O4Si2
Molecular Weight394.66 g/mol
Exact Mass394.20
IUPAC Namebis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16(15)18(22)24-26(9,10)20(4,5)6/h11-14H,1-10H3
InChIKeyRUGOPMVYGOPNSG-UHFFFAOYSA-N
XLogP6.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.66
LogP ≤ 56.01
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(dimethyl)silyl] 2-sulfanylbenzoate
CID 554841
2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 91694142
2-O-[tert-butyl(dimethyl)silyl] 1-O-hexyl benzene-1,2-dicarboxylate
CID 91735887
[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-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzoate
CID 91744543
[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate
CID 87809694
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
[tert-butyl(dimethyl)silyl] 4-isocyanobenzoate
CID 88538948
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate
CID 18992073
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate (CID 630744) is bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate is CC(C)(C)[Si](C)(C)OC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate?
The InChIKey is RUGOPMVYGOPNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16(15)18(22)24-26(9,10)20(4,5)6/h11-14H,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate?
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate has a molecular weight of 394.66 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate is sourced from PubChem (CID 630744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).