[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate

C19H34O2SSi2 — CID 91754010

IUPAC[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cccc(S[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H34O2SSi2/c1-18(2,3)23(7,8)21-17(20)15-12-11-13-16(14-15)22-24(9,10)19(4,5)6/h11-14H,1-10H3
InChIKeyWKMWZLNMQYYVJJ-UHFFFAOYSA-N
MW382.72 g/mol
LogP6.95
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate (PubChem CID 91754010) has the molecular formula C19H34O2SSi2 and a molecular weight of 382.72 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate
PubChem CID91754010
Molecular FormulaC19H34O2SSi2
Molecular Weight382.72 g/mol
Exact Mass382.18
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cccc(S[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H34O2SSi2/c1-18(2,3)23(7,8)21-17(20)15-12-11-13-16(14-15)22-24(9,10)19(4,5)6/h11-14H,1-10H3
InChIKeyWKMWZLNMQYYVJJ-UHFFFAOYSA-N
XLogP6.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 56.95
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

[tert-butyl(dimethyl)silyl] 3-(2,2,3,3,3-pentafluoropropanoylsulfanyl)benzoate
CID 91743749
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
[tert-butyl(dimethyl)silyl] 4-ethylbenzoate
CID 91752604
[tert-butyl(dimethyl)silyl] 4-isocyanobenzoate
CID 88538948
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
[tert-butyl(dimethyl)silyl] 2-sulfanylbenzoate
CID 554841
methyl 3-fluorosulfanylbenzoate
CID 139540027
[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
CID 91738957
tert-butyl-dimethyl-[1-(3-methylphenyl)prop-1-enoxy]silane
CID 75217044
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715
[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate
CID 6430582

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate (CID 91754010) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate is CC(C)(C)[Si](C)(C)OC(=O)c1cccc(S[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate?
The InChIKey is WKMWZLNMQYYVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2SSi2/c1-18(2,3)23(7,8)21-17(20)15-12-11-13-16(14-15)22-24(9,10)19(4,5)6/h11-14H,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate has a molecular weight of 382.72 g/mol, XLogP of 6.95, 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]sulfanylbenzoate is sourced from PubChem (CID 91754010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).