2-cyclohexylethoxy-diethoxy-methylsilane

C13H28O3Si — CID 150022519

IUPAC2-cyclohexylethoxy-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)OCCC1CCCCC1
InChIInChI=1S/C13H28O3Si/c1-4-14-17(3,15-5-2)16-12-11-13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
InChIKeyDFNWIBBSLLYOFJ-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.62
Rot. Bonds8

About 2-cyclohexylethoxy-diethoxy-methylsilane

2-cyclohexylethoxy-diethoxy-methylsilane (PubChem CID 150022519) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-cyclohexylethoxy-diethoxy-methylsilane.

Molecular Properties

Compound Name2-cyclohexylethoxy-diethoxy-methylsilane
PubChem CID150022519
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name2-cyclohexylethoxy-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)OCCC1CCCCC1
InChIInChI=1S/C13H28O3Si/c1-4-14-17(3,15-5-2)16-12-11-13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
InChIKeyDFNWIBBSLLYOFJ-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexylethoxy-diethoxy-methylsilane?
The IUPAC name of 2-cyclohexylethoxy-diethoxy-methylsilane (CID 150022519) is 2-cyclohexylethoxy-diethoxy-methylsilane.
What is the SMILES notation for 2-cyclohexylethoxy-diethoxy-methylsilane?
The canonical SMILES for 2-cyclohexylethoxy-diethoxy-methylsilane is CCO[Si](C)(OCC)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethoxy-diethoxy-methylsilane?
The InChIKey is DFNWIBBSLLYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-4-14-17(3,15-5-2)16-12-11-13-9-7-6-8-10-13/h13H,4-12H2,1-3H3.
What are the key properties of 2-cyclohexylethoxy-diethoxy-methylsilane?
2-cyclohexylethoxy-diethoxy-methylsilane has a molecular weight of 260.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethoxy-diethoxy-methylsilane is sourced from PubChem (CID 150022519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).