5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane

C19H42O2Si — CID 152664217

IUPAC5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane
SMILESCCCCC(CCCC)(CCCC)O[Si](C)(CCC)COC
InChIInChI=1S/C19H42O2Si/c1-7-11-14-19(15-12-8-2,16-13-9-3)21-22(6,17-10-4)18-20-5/h7-18H2,1-6H3
InChIKeyZKEFEZVYYFYQSH-UHFFFAOYSA-N
MW330.63 g/mol
LogP6.48
Rot. Bonds15

About 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane

5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane (PubChem CID 152664217) has the molecular formula C19H42O2Si and a molecular weight of 330.63 g/mol. Its IUPAC name is 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane.

Molecular Properties

Compound Name5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane
PubChem CID152664217
Molecular FormulaC19H42O2Si
Molecular Weight330.63 g/mol
Exact Mass330.30
IUPAC Name5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane
SMILESCCCCC(CCCC)(CCCC)O[Si](C)(CCC)COC
InChIInChI=1S/C19H42O2Si/c1-7-11-14-19(15-12-8-2,16-13-9-3)21-22(6,17-10-4)18-20-5/h7-18H2,1-6H3
InChIKeyZKEFEZVYYFYQSH-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 56.48
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 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane?
The IUPAC name of 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane (CID 152664217) is 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane.
What is the SMILES notation for 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane?
The canonical SMILES for 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane is CCCCC(CCCC)(CCCC)O[Si](C)(CCC)COC.
What is the InChIKey of 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane?
The InChIKey is ZKEFEZVYYFYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O2Si/c1-7-11-14-19(15-12-8-2,16-13-9-3)21-22(6,17-10-4)18-20-5/h7-18H2,1-6H3.
What are the key properties of 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane?
5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane has a molecular weight of 330.63 g/mol, XLogP of 6.48, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yloxy-(methoxymethyl)-methyl-propylsilane is sourced from PubChem (CID 152664217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).