4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane

C14H34O4Si2 — CID 18006714

IUPAC4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C14H34O4Si2/c1-7-15-19(5,16-8-2)13-11-12-14-20(6,17-9-3)18-10-4/h7-14H2,1-6H3
InChIKeyNBTPLJIGKXRDCD-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.06
Rot. Bonds13

About 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane

4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane (PubChem CID 18006714) has the molecular formula C14H34O4Si2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane.

Molecular Properties

Compound Name4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane
PubChem CID18006714
Molecular FormulaC14H34O4Si2
Molecular Weight322.59 g/mol
Exact Mass322.20
IUPAC Name4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C14H34O4Si2/c1-7-15-19(5,16-8-2)13-11-12-14-20(6,17-9-3)18-10-4/h7-14H2,1-6H3
InChIKeyNBTPLJIGKXRDCD-UHFFFAOYSA-N
XLogP4.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane?
The IUPAC name of 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane (CID 18006714) is 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane.
What is the SMILES notation for 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane?
The canonical SMILES for 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane is CCO[Si](C)(CCCC[Si](C)(OCC)OCC)OCC.
What is the InChIKey of 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane?
The InChIKey is NBTPLJIGKXRDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34O4Si2/c1-7-15-19(5,16-8-2)13-11-12-14-20(6,17-9-3)18-10-4/h7-14H2,1-6H3.
What are the key properties of 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane?
4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane has a molecular weight of 322.59 g/mol, XLogP of 4.06, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(methyl)silyl]butyl-diethoxy-methylsilane is sourced from PubChem (CID 18006714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).