[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate

C20H35ClO3Si2 — CID 18992073

IUPAC[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate
SMILESCc1c(C(=O)O[Si](C)(C)C(C)(C)C)ccc(Cl)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35ClO3Si2/c1-14-15(18(22)24-26(10,11)20(5,6)7)12-13-16(21)17(14)23-25(8,9)19(2,3)4/h12-13H,1-11H3
InChIKeyUBBRCIYTMPFFIP-UHFFFAOYSA-N
MW415.12 g/mol
LogP7.19
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate (PubChem CID 18992073) has the molecular formula C20H35ClO3Si2 and a molecular weight of 415.12 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate
PubChem CID18992073
Molecular FormulaC20H35ClO3Si2
Molecular Weight415.12 g/mol
Exact Mass414.18
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate
SMILESCc1c(C(=O)O[Si](C)(C)C(C)(C)C)ccc(Cl)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35ClO3Si2/c1-14-15(18(22)24-26(10,11)20(5,6)7)12-13-16(21)17(14)23-25(8,9)19(2,3)4/h12-13H,1-11H3
InChIKeyUBBRCIYTMPFFIP-UHFFFAOYSA-N
XLogP7.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.12
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate (CID 18992073) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate is Cc1c(C(=O)O[Si](C)(C)C(C)(C)C)ccc(Cl)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate?
The InChIKey is UBBRCIYTMPFFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35ClO3Si2/c1-14-15(18(22)24-26(10,11)20(5,6)7)12-13-16(21)17(14)23-25(8,9)19(2,3)4/h12-13H,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate has a molecular weight of 415.12 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate is sourced from PubChem (CID 18992073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).