1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane

C14H28O3Si — CID 67592189

IUPAC1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane
SMILESCCO[Si](CC)(OCC)OC(C)C1=CCCCC1
InChIInChI=1S/C14H28O3Si/c1-5-15-18(7-3,16-6-2)17-13(4)14-11-9-8-10-12-14/h11,13H,5-10,12H2,1-4H3
InChIKeyHMUIGGKJFZGDNW-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.92
Rot. Bonds8

About 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane

1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane (PubChem CID 67592189) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane
PubChem CID67592189
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane
SMILESCCO[Si](CC)(OCC)OC(C)C1=CCCCC1
InChIInChI=1S/C14H28O3Si/c1-5-15-18(7-3,16-6-2)17-13(4)14-11-9-8-10-12-14/h11,13H,5-10,12H2,1-4H3
InChIKeyHMUIGGKJFZGDNW-UHFFFAOYSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane?
The IUPAC name of 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane (CID 67592189) is 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane?
The canonical SMILES for 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane is CCO[Si](CC)(OCC)OC(C)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane?
The InChIKey is HMUIGGKJFZGDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-5-15-18(7-3,16-6-2)17-13(4)14-11-9-8-10-12-14/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane?
1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane has a molecular weight of 272.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethoxy-diethoxy-ethylsilane is sourced from PubChem (CID 67592189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).