tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane

C18H40O2Si — CID 86248050

IUPACtert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane
SMILESCCCCC(CCCC)(COC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-9-11-13-18(15-19-6,14-12-10-2)16-20-21(7,8)17(3,4)5/h9-16H2,1-8H3
InChIKeyAFYUBWNWJJQVNK-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.02
Rot. Bonds11

About tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane

tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane (PubChem CID 86248050) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane
PubChem CID86248050
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Nametert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane
SMILESCCCCC(CCCC)(COC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-9-11-13-18(15-19-6,14-12-10-2)16-20-21(7,8)17(3,4)5/h9-16H2,1-8H3
InChIKeyAFYUBWNWJJQVNK-UHFFFAOYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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 tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane (CID 86248050) is tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane is CCCCC(CCCC)(COC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
The InChIKey is AFYUBWNWJJQVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-9-11-13-18(15-19-6,14-12-10-2)16-20-21(7,8)17(3,4)5/h9-16H2,1-8H3.
What are the key properties of tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane has a molecular weight of 316.60 g/mol, XLogP of 6.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane is sourced from PubChem (CID 86248050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).