2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane

C17H34O3Si — CID 66598860

IUPAC2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCC1=CCCCC1)(OC(C)C)OC(C)C
InChIInChI=1S/C17H34O3Si/c1-14(2)18-21(19-15(3)4,20-16(5)6)13-12-17-10-8-7-9-11-17/h10,14-16H,7-9,11-13H2,1-6H3
InChIKeyFEWRHJNMGQIBPK-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.09
Rot. Bonds9

About 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane

2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane (PubChem CID 66598860) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane
PubChem CID66598860
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCC1=CCCCC1)(OC(C)C)OC(C)C
InChIInChI=1S/C17H34O3Si/c1-14(2)18-21(19-15(3)4,20-16(5)6)13-12-17-10-8-7-9-11-17/h10,14-16H,7-9,11-13H2,1-6H3
InChIKeyFEWRHJNMGQIBPK-UHFFFAOYSA-N
XLogP5.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane?
The IUPAC name of 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane (CID 66598860) is 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane is CC(C)O[Si](CCC1=CCCCC1)(OC(C)C)OC(C)C.
What is the InChIKey of 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane?
The InChIKey is FEWRHJNMGQIBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-14(2)18-21(19-15(3)4,20-16(5)6)13-12-17-10-8-7-9-11-17/h10,14-16H,7-9,11-13H2,1-6H3.
What are the key properties of 2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane?
2-(cyclohexen-1-yl)ethyl-tri(propan-2-yloxy)silane has a molecular weight of 314.54 g/mol, XLogP of 5.09, 9 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-tri(propan-2-yloxy)silane is sourced from PubChem (CID 66598860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).