[butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate

C18H40O8SSi2 — CID 162716587

IUPAC[butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate
SMILESCCO[Si](CC(=O)OS[Si](OCC)(OCC)OC(C)CC)(OCC)OC(C)CC
InChIInChI=1S/C18H40O8SSi2/c1-9-16(7)25-28(20-11-3,21-12-4)15-18(19)24-27-29(22-13-5,23-14-6)26-17(8)10-2/h16-17H,9-15H2,1-8H3
InChIKeyVIYQWFWAULGPTQ-UHFFFAOYSA-N
MW472.75 g/mol
LogP4.33
Rot. Bonds18

About [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate

[butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate (PubChem CID 162716587) has the molecular formula C18H40O8SSi2 and a molecular weight of 472.75 g/mol. Its IUPAC name is [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate.

Molecular Properties

Compound Name[butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate
PubChem CID162716587
Molecular FormulaC18H40O8SSi2
Molecular Weight472.75 g/mol
Exact Mass472.20
IUPAC Name[butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate
SMILESCCO[Si](CC(=O)OS[Si](OCC)(OCC)OC(C)CC)(OCC)OC(C)CC
InChIInChI=1S/C18H40O8SSi2/c1-9-16(7)25-28(20-11-3,21-12-4)15-18(19)24-27-29(22-13-5,23-14-6)26-17(8)10-2/h16-17H,9-15H2,1-8H3
InChIKeyVIYQWFWAULGPTQ-UHFFFAOYSA-N
XLogP4.33
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate
CID 140591318
trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-ethylamino]acetate
CID 140591259
1-[diethoxy(ethyl)silyl]oxyethylphosphane
CID 157287140
butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane
CID 175371558
1-triethoxysilylpropan-2-one
CID 174838810
butan-2-yloxy(trifluoro)silane
CID 139698308
bis(tri(butan-2-yloxy)-hydroxysilane);zirconium
CID 175131164
butan-2-yloxy-diethyl-methylsilane
CID 59538140
lithium;hydride;S-triethoxysilyl ethanethioate
CID 173116064
2-tri(butan-2-yloxy)silylethyl prop-2-enoate
CID 142675129
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
CID 140591135
4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide
CID 175314964

Frequently Asked Questions

What is the IUPAC name of [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate?
The IUPAC name of [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate (CID 162716587) is [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate.
What is the SMILES notation for [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate?
The canonical SMILES for [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate is CCO[Si](CC(=O)OS[Si](OCC)(OCC)OC(C)CC)(OCC)OC(C)CC.
What is the InChIKey of [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate?
The InChIKey is VIYQWFWAULGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O8SSi2/c1-9-16(7)25-28(20-11-3,21-12-4)15-18(19)24-27-29(22-13-5,23-14-6)26-17(8)10-2/h16-17H,9-15H2,1-8H3.
What are the key properties of [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate?
[butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate has a molecular weight of 472.75 g/mol, XLogP of 4.33, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yloxy(diethoxy)silyl]sulfanyl 2-[butan-2-yloxy(diethoxy)silyl]acetate is sourced from PubChem (CID 162716587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).