2-(cyclohexen-1-yl)ethyl-tripropoxysilane

C17H34O3Si — CID 66599336

IUPAC2-(cyclohexen-1-yl)ethyl-tripropoxysilane
SMILESCCCO[Si](CCC1=CCCCC1)(OCCC)OCCC
InChIInChI=1S/C17H34O3Si/c1-4-13-18-21(19-14-5-2,20-15-6-3)16-12-17-10-8-7-9-11-17/h10H,4-9,11-16H2,1-3H3
InChIKeyQUEWFZLDCBHIBL-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.10
Rot. Bonds12

About 2-(cyclohexen-1-yl)ethyl-tripropoxysilane

2-(cyclohexen-1-yl)ethyl-tripropoxysilane (PubChem CID 66599336) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethyl-tripropoxysilane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethyl-tripropoxysilane
PubChem CID66599336
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name2-(cyclohexen-1-yl)ethyl-tripropoxysilane
SMILESCCCO[Si](CCC1=CCCCC1)(OCCC)OCCC
InChIInChI=1S/C17H34O3Si/c1-4-13-18-21(19-14-5-2,20-15-6-3)16-12-17-10-8-7-9-11-17/h10H,4-9,11-16H2,1-3H3
InChIKeyQUEWFZLDCBHIBL-UHFFFAOYSA-N
XLogP5.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.10
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 2-(cyclohexen-1-yl)ethyl-tripropoxysilane?
The IUPAC name of 2-(cyclohexen-1-yl)ethyl-tripropoxysilane (CID 66599336) is 2-(cyclohexen-1-yl)ethyl-tripropoxysilane.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethyl-tripropoxysilane?
The canonical SMILES for 2-(cyclohexen-1-yl)ethyl-tripropoxysilane is CCCO[Si](CCC1=CCCCC1)(OCCC)OCCC.
What is the InChIKey of 2-(cyclohexen-1-yl)ethyl-tripropoxysilane?
The InChIKey is QUEWFZLDCBHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-4-13-18-21(19-14-5-2,20-15-6-3)16-12-17-10-8-7-9-11-17/h10H,4-9,11-16H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)ethyl-tripropoxysilane?
2-(cyclohexen-1-yl)ethyl-tripropoxysilane has a molecular weight of 314.54 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethyl-tripropoxysilane is sourced from PubChem (CID 66599336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).