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

C15H34O2SSi2 — CID 91719359

IUPAC[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCS[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O2SSi2/c1-14(2,3)19(7,8)17-13(16)11-12-18-20(9,10)15(4,5)6/h11-12H2,1-10H3
InChIKeyNGLDHZZWTPPVIR-UHFFFAOYSA-N
MW334.67 g/mol
LogP5.66
Rot. Bonds5

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

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate (PubChem CID 91719359) has the molecular formula C15H34O2SSi2 and a molecular weight of 334.67 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
PubChem CID91719359
Molecular FormulaC15H34O2SSi2
Molecular Weight334.67 g/mol
Exact Mass334.18
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCS[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O2SSi2/c1-14(2,3)19(7,8)17-13(16)11-12-18-20(9,10)15(4,5)6/h11-12H2,1-10H3
InChIKeyNGLDHZZWTPPVIR-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.67
LogP ≤ 55.66
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]sulfanylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate (CID 91719359) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate is CC(C)(C)[Si](C)(C)OC(=O)CCS[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate?
The InChIKey is NGLDHZZWTPPVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2SSi2/c1-14(2,3)19(7,8)17-13(16)11-12-18-20(9,10)15(4,5)6/h11-12H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate has a molecular weight of 334.67 g/mol, XLogP of 5.66, 5 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]sulfanylpropanoate is sourced from PubChem (CID 91719359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).