1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane

C14H23ClO2Si — CID 154396111

IUPAC1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane
SMILESCCO[Si](C)(CC)OC(C)c1ccccc1CCl
InChIInChI=1S/C14H23ClO2Si/c1-5-16-18(4,6-2)17-12(3)14-10-8-7-9-13(14)11-15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyOGJPVBZRXRDWAT-UHFFFAOYSA-N
MW286.88 g/mol
LogP4.63
Rot. Bonds7

About 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane

1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane (PubChem CID 154396111) has the molecular formula C14H23ClO2Si and a molecular weight of 286.88 g/mol. Its IUPAC name is 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane.

Molecular Properties

Compound Name1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane
PubChem CID154396111
Molecular FormulaC14H23ClO2Si
Molecular Weight286.88 g/mol
Exact Mass286.12
IUPAC Name1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane
SMILESCCO[Si](C)(CC)OC(C)c1ccccc1CCl
InChIInChI=1S/C14H23ClO2Si/c1-5-16-18(4,6-2)17-12(3)14-10-8-7-9-13(14)11-15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyOGJPVBZRXRDWAT-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.88
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
3-[1-[dimethyl(phenyl)silyl]ethoxy-ethoxy-methylsilyl]propan-1-amine
CID 175152153
2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane
CID 19834367
triethyl [(1S)-1-phenylethyl] silicate
CID 102403172
2-(triethoxysilylmethyl)benzenethiol
CID 141156182
1-(chloromethyl)-2-ethylbenzene
CID 524243
1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane
CID 15140804
1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
CID 141264907
1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
CID 154190477
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
[2-(chloromethyl)phenoxy]-tripropylsilane
CID 68531670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane?
The IUPAC name of 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane (CID 154396111) is 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane.
What is the SMILES notation for 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane?
The canonical SMILES for 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane is CCO[Si](C)(CC)OC(C)c1ccccc1CCl.
What is the InChIKey of 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane?
The InChIKey is OGJPVBZRXRDWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2Si/c1-5-16-18(4,6-2)17-12(3)14-10-8-7-9-13(14)11-15/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane?
1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane has a molecular weight of 286.88 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane is sourced from PubChem (CID 154396111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).