[2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane

C18H40O2Si — CID 86248051

IUPAC[2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane
SMILESCCCCC(CCCC)(COC)CO[Si](CC)(CC)CC
InChIInChI=1S/C18H40O2Si/c1-7-12-14-18(16-19-6,15-13-8-2)17-20-21(9-3,10-4)11-5/h7-17H2,1-6H3
InChIKeyMKGLKXZSMNLBDI-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.02
Rot. Bonds14

About [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane

[2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane (PubChem CID 86248051) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane.

Molecular Properties

Compound Name[2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane
PubChem CID86248051
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name[2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane
SMILESCCCCC(CCCC)(COC)CO[Si](CC)(CC)CC
InChIInChI=1S/C18H40O2Si/c1-7-12-14-18(16-19-6,15-13-8-2)17-20-21(9-3,10-4)11-5/h7-17H2,1-6H3
InChIKeyMKGLKXZSMNLBDI-UHFFFAOYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane?
The IUPAC name of [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane (CID 86248051) is [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane.
What is the SMILES notation for [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane?
The canonical SMILES for [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane is CCCCC(CCCC)(COC)CO[Si](CC)(CC)CC.
What is the InChIKey of [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane?
The InChIKey is MKGLKXZSMNLBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-7-12-14-18(16-19-6,15-13-8-2)17-20-21(9-3,10-4)11-5/h7-17H2,1-6H3.
What are the key properties of [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane?
[2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane has a molecular weight of 316.60 g/mol, XLogP of 6.02, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-2-(methoxymethyl)hexoxy]-triethylsilane is sourced from PubChem (CID 86248051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).