2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane

C20H27ClO4Si — CID 57193472

IUPAC2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane
SMILESCCOCCO[Si](CCCl)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27ClO4Si/c1-2-22-14-15-23-26(16-13-21,24-17-19-9-5-3-6-10-19)25-18-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3
InChIKeyNAESUJCIAWHBFE-UHFFFAOYSA-N
MW394.97 g/mol
LogP4.65
Rot. Bonds13

About 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane

2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane (PubChem CID 57193472) has the molecular formula C20H27ClO4Si and a molecular weight of 394.97 g/mol. Its IUPAC name is 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane.

Molecular Properties

Compound Name2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane
PubChem CID57193472
Molecular FormulaC20H27ClO4Si
Molecular Weight394.97 g/mol
Exact Mass394.14
IUPAC Name2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane
SMILESCCOCCO[Si](CCCl)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27ClO4Si/c1-2-22-14-15-23-26(16-13-21,24-17-19-9-5-3-6-10-19)25-18-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3
InChIKeyNAESUJCIAWHBFE-UHFFFAOYSA-N
XLogP4.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(213C)ethoxymethylbenzene
CID 87947851
dibenzyl 4-chlorobutyl ethyl silicate
CID 70552278
dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane
CID 86258533
benzyl triethyl silicate
CID 14245028
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
N-benzyl-N-(2-chloroethyl)-3-ethoxypropan-1-amine
CID 65177773
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
triethyl 2-[2-[2-[2-[2-(2-phenylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl silicate
CID 175305307
methoxy-phenyl-phenylmethoxy-propylsilane
CID 174912796
triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate
CID 175305550
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane?
The IUPAC name of 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane (CID 57193472) is 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane.
What is the SMILES notation for 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane?
The canonical SMILES for 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane is CCOCCO[Si](CCCl)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane?
The InChIKey is NAESUJCIAWHBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClO4Si/c1-2-22-14-15-23-26(16-13-21,24-17-19-9-5-3-6-10-19)25-18-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3.
What are the key properties of 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane?
2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane has a molecular weight of 394.97 g/mol, XLogP of 4.65, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane is sourced from PubChem (CID 57193472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).