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

C18H40O2Si — CID 86248068

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

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

butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane (PubChem CID 86248068) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane
PubChem CID86248068
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namebutyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane
SMILESCCCCC(CCCC)(COC)CO[Si](C)(C)CCCC
InChIInChI=1S/C18H40O2Si/c1-7-10-13-18(16-19-4,14-11-8-2)17-20-21(5,6)15-12-9-3/h7-17H2,1-6H3
InChIKeyPECCZHBMDWJWKP-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 butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
The IUPAC name of butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane (CID 86248068) is butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane.
What is the SMILES notation for butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
The canonical SMILES for butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane is CCCCC(CCCC)(COC)CO[Si](C)(C)CCCC.
What is the InChIKey of butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
The InChIKey is PECCZHBMDWJWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-7-10-13-18(16-19-4,14-11-8-2)17-20-21(5,6)15-12-9-3/h7-17H2,1-6H3.
What are the key properties of butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane?
butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane 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 butyl-[2-butyl-2-(methoxymethyl)hexoxy]-dimethylsilane is sourced from PubChem (CID 86248068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).