2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane

C17H27ClO3Si — CID 66846063

IUPAC2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(CC(C)c2ccc(C(C)Cl)cc2)OCC(C)CO1
InChIInChI=1S/C17H27ClO3Si/c1-5-19-22(20-10-13(2)11-21-22)12-14(3)16-6-8-17(9-7-16)15(4)18/h6-9,13-15H,5,10-12H2,1-4H3
InChIKeyYUNBWCXRHFMUKT-UHFFFAOYSA-N
MW342.94 g/mol
LogP4.75
Rot. Bonds6

About 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane

2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane (PubChem CID 66846063) has the molecular formula C17H27ClO3Si and a molecular weight of 342.94 g/mol. Its IUPAC name is 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane
PubChem CID66846063
Molecular FormulaC17H27ClO3Si
Molecular Weight342.94 g/mol
Exact Mass342.14
IUPAC Name2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(CC(C)c2ccc(C(C)Cl)cc2)OCC(C)CO1
InChIInChI=1S/C17H27ClO3Si/c1-5-19-22(20-10-13(2)11-21-22)12-14(3)16-6-8-17(9-7-16)15(4)18/h6-9,13-15H,5,10-12H2,1-4H3
InChIKeyYUNBWCXRHFMUKT-UHFFFAOYSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The IUPAC name of 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane (CID 66846063) is 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The canonical SMILES for 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane is CCO[Si]1(CC(C)c2ccc(C(C)Cl)cc2)OCC(C)CO1.
What is the InChIKey of 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The InChIKey is YUNBWCXRHFMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO3Si/c1-5-19-22(20-10-13(2)11-21-22)12-14(3)16-6-8-17(9-7-16)15(4)18/h6-9,13-15H,5,10-12H2,1-4H3.
What are the key properties of 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane has a molecular weight of 342.94 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-chloroethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane is sourced from PubChem (CID 66846063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).