butyl(triethoxy)silane;tert-butyl(triethoxy)silane

C20H48O6Si2 — CID 175188929

IUPACbutyl(triethoxy)silane;tert-butyl(triethoxy)silane
SMILESCCCC[Si](OCC)(OCC)OCC.CCO[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/2C10H24O3Si/c1-7-11-14(12-8-2,13-9-3)10(4,5)6;1-5-9-10-14(11-6-2,12-7-3)13-8-4/h7-9H2,1-6H3;5-10H2,1-4H3
InChIKeyRULLUTAOKPOLMF-UHFFFAOYSA-N
MW440.77 g/mol
LogP5.67
Rot. Bonds15

About butyl(triethoxy)silane;tert-butyl(triethoxy)silane

butyl(triethoxy)silane;tert-butyl(triethoxy)silane (PubChem CID 175188929) has the molecular formula C20H48O6Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is butyl(triethoxy)silane;tert-butyl(triethoxy)silane.

Molecular Properties

Compound Namebutyl(triethoxy)silane;tert-butyl(triethoxy)silane
PubChem CID175188929
Molecular FormulaC20H48O6Si2
Molecular Weight440.77 g/mol
Exact Mass440.30
IUPAC Namebutyl(triethoxy)silane;tert-butyl(triethoxy)silane
SMILESCCCC[Si](OCC)(OCC)OCC.CCO[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/2C10H24O3Si/c1-7-11-14(12-8-2,13-9-3)10(4,5)6;1-5-9-10-14(11-6-2,12-7-3)13-8-4/h7-9H2,1-6H3;5-10H2,1-4H3
InChIKeyRULLUTAOKPOLMF-UHFFFAOYSA-N
XLogP5.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
butyl(triethoxy)silane;methanethioic S-acid
CID 175031462
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814

Frequently Asked Questions

What is the IUPAC name of butyl(triethoxy)silane;tert-butyl(triethoxy)silane?
The IUPAC name of butyl(triethoxy)silane;tert-butyl(triethoxy)silane (CID 175188929) is butyl(triethoxy)silane;tert-butyl(triethoxy)silane.
What is the SMILES notation for butyl(triethoxy)silane;tert-butyl(triethoxy)silane?
The canonical SMILES for butyl(triethoxy)silane;tert-butyl(triethoxy)silane is CCCC[Si](OCC)(OCC)OCC.CCO[Si](OCC)(OCC)C(C)(C)C.
What is the InChIKey of butyl(triethoxy)silane;tert-butyl(triethoxy)silane?
The InChIKey is RULLUTAOKPOLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H24O3Si/c1-7-11-14(12-8-2,13-9-3)10(4,5)6;1-5-9-10-14(11-6-2,12-7-3)13-8-4/h7-9H2,1-6H3;5-10H2,1-4H3.
What are the key properties of butyl(triethoxy)silane;tert-butyl(triethoxy)silane?
butyl(triethoxy)silane;tert-butyl(triethoxy)silane has a molecular weight of 440.77 g/mol, XLogP of 5.67, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triethoxy)silane;tert-butyl(triethoxy)silane is sourced from PubChem (CID 175188929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).