1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane

C17H34O3Si — CID 68808695

IUPAC1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane
SMILESCCCO[Si](CC)(OCCC)OC(CC)C1=CCCCC1
InChIInChI=1S/C17H34O3Si/c1-5-14-18-21(8-4,19-15-6-2)20-17(7-3)16-12-10-9-11-13-16/h12,17H,5-11,13-15H2,1-4H3
InChIKeyGPXGYVAQMRBBMG-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.09
Rot. Bonds11

About 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane

1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane (PubChem CID 68808695) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane
PubChem CID68808695
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane
SMILESCCCO[Si](CC)(OCCC)OC(CC)C1=CCCCC1
InChIInChI=1S/C17H34O3Si/c1-5-14-18-21(8-4,19-15-6-2)20-17(7-3)16-12-10-9-11-13-16/h12,17H,5-11,13-15H2,1-4H3
InChIKeyGPXGYVAQMRBBMG-UHFFFAOYSA-N
XLogP5.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.09
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)propoxy-ethyl-dipropoxysilane?
The IUPAC name of 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane (CID 68808695) is 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane.
What is the SMILES notation for 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane?
The canonical SMILES for 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane is CCCO[Si](CC)(OCCC)OC(CC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane?
The InChIKey is GPXGYVAQMRBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-5-14-18-21(8-4,19-15-6-2)20-17(7-3)16-12-10-9-11-13-16/h12,17H,5-11,13-15H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane?
1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane has a molecular weight of 314.54 g/mol, XLogP of 5.09, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)propoxy-ethyl-dipropoxysilane is sourced from PubChem (CID 68808695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).