cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane

C17H36O2Si — CID 18412986

IUPACcyclobutylmethyl-diethoxy-(2-ethylhexyl)silane
SMILESCCCCC(CC)C[Si](CC1CCC1)(OCC)OCC
InChIInChI=1S/C17H36O2Si/c1-5-9-11-16(6-2)14-20(18-7-3,19-8-4)15-17-12-10-13-17/h16-17H,5-15H2,1-4H3
InChIKeyGIUZLEGCNUYMNR-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.52
Rot. Bonds12

About cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane

cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane (PubChem CID 18412986) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane.

Molecular Properties

Compound Namecyclobutylmethyl-diethoxy-(2-ethylhexyl)silane
PubChem CID18412986
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Namecyclobutylmethyl-diethoxy-(2-ethylhexyl)silane
SMILESCCCCC(CC)C[Si](CC1CCC1)(OCC)OCC
InChIInChI=1S/C17H36O2Si/c1-5-9-11-16(6-2)14-20(18-7-3,19-8-4)15-17-12-10-13-17/h16-17H,5-15H2,1-4H3
InChIKeyGIUZLEGCNUYMNR-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.52
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 cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane?
The IUPAC name of cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane (CID 18412986) is cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane.
What is the SMILES notation for cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane?
The canonical SMILES for cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane is CCCCC(CC)C[Si](CC1CCC1)(OCC)OCC.
What is the InChIKey of cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane?
The InChIKey is GIUZLEGCNUYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-5-9-11-16(6-2)14-20(18-7-3,19-8-4)15-17-12-10-13-17/h16-17H,5-15H2,1-4H3.
What are the key properties of cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane?
cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane has a molecular weight of 300.56 g/mol, XLogP of 5.52, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl-diethoxy-(2-ethylhexyl)silane is sourced from PubChem (CID 18412986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).