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

C16H25ClO3Si — CID 66845674

IUPAC2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(CC(C)c2ccc(CCl)cc2)OCC(C)CO1
InChIInChI=1S/C16H25ClO3Si/c1-4-18-21(19-10-13(2)11-20-21)12-14(3)16-7-5-15(9-17)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyQSKAHRBRISTIEG-UHFFFAOYSA-N
MW328.91 g/mol
LogP4.19
Rot. Bonds6

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

2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane (PubChem CID 66845674) has the molecular formula C16H25ClO3Si and a molecular weight of 328.91 g/mol. Its IUPAC name is 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane
PubChem CID66845674
Molecular FormulaC16H25ClO3Si
Molecular Weight328.91 g/mol
Exact Mass328.13
IUPAC Name2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(CC(C)c2ccc(CCl)cc2)OCC(C)CO1
InChIInChI=1S/C16H25ClO3Si/c1-4-18-21(19-10-13(2)11-20-21)12-14(3)16-7-5-15(9-17)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyQSKAHRBRISTIEG-UHFFFAOYSA-N
XLogP4.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 54.19
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-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The IUPAC name of 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane (CID 66845674) is 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The canonical SMILES for 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane is CCO[Si]1(CC(C)c2ccc(CCl)cc2)OCC(C)CO1.
What is the InChIKey of 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The InChIKey is QSKAHRBRISTIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO3Si/c1-4-18-21(19-10-13(2)11-20-21)12-14(3)16-7-5-15(9-17)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane has a molecular weight of 328.91 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(chloromethyl)phenyl]propyl]-2-ethoxy-5-methyl-1,3,2-dioxasilinane is sourced from PubChem (CID 66845674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).