dibenzyl 4-chlorobutyl ethyl silicate

C20H27ClO4Si — CID 70552278

IUPACdibenzyl 4-chlorobutyl ethyl silicate
SMILESCCO[Si](OCCCCCl)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27ClO4Si/c1-2-22-26(23-16-10-9-15-21,24-17-19-11-5-3-6-12-19)25-18-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKeyMHHZUIKDCVHKFN-UHFFFAOYSA-N
MW394.97 g/mol
LogP4.93
Rot. Bonds13

About dibenzyl 4-chlorobutyl ethyl silicate

dibenzyl 4-chlorobutyl ethyl silicate (PubChem CID 70552278) has the molecular formula C20H27ClO4Si and a molecular weight of 394.97 g/mol. Its IUPAC name is dibenzyl 4-chlorobutyl ethyl silicate.

Molecular Properties

Compound Namedibenzyl 4-chlorobutyl ethyl silicate
PubChem CID70552278
Molecular FormulaC20H27ClO4Si
Molecular Weight394.97 g/mol
Exact Mass394.14
IUPAC Namedibenzyl 4-chlorobutyl ethyl silicate
SMILESCCO[Si](OCCCCCl)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27ClO4Si/c1-2-22-26(23-16-10-9-15-21,24-17-19-11-5-3-6-12-19)25-18-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKeyMHHZUIKDCVHKFN-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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

benzyl triethyl silicate
CID 14245028
bis(3-chloropropyl) diethyl silicate
CID 153327959
bis(8-chlorooctoxy)-diphenylsilane
CID 91694774
triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate
CID 175305550
triethyl 2-[2-[2-[2-[2-(2-phenylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl silicate
CID 175305307
2-chloroethyl-(2-ethoxyethoxy)-bis(phenylmethoxy)silane
CID 57193472
tribenzyl 1-chloropropyl silicate
CID 175318529
dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane
CID 86258533
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
CID 10687073
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829

Frequently Asked Questions

What is the IUPAC name of dibenzyl 4-chlorobutyl ethyl silicate?
The IUPAC name of dibenzyl 4-chlorobutyl ethyl silicate (CID 70552278) is dibenzyl 4-chlorobutyl ethyl silicate.
What is the SMILES notation for dibenzyl 4-chlorobutyl ethyl silicate?
The canonical SMILES for dibenzyl 4-chlorobutyl ethyl silicate is CCO[Si](OCCCCCl)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl 4-chlorobutyl ethyl silicate?
The InChIKey is MHHZUIKDCVHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClO4Si/c1-2-22-26(23-16-10-9-15-21,24-17-19-11-5-3-6-12-19)25-18-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3.
What are the key properties of dibenzyl 4-chlorobutyl ethyl silicate?
dibenzyl 4-chlorobutyl ethyl silicate has a molecular weight of 394.97 g/mol, XLogP of 4.93, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 4-chlorobutyl ethyl silicate is sourced from PubChem (CID 70552278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).