tribenzyl 1-chloropropyl silicate

C24H27ClO4Si — CID 175318529

IUPACtribenzyl 1-chloropropyl silicate
SMILESCCC(Cl)O[Si](OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H27ClO4Si/c1-2-24(25)29-30(26-18-21-12-6-3-7-13-21,27-19-22-14-8-4-9-15-22)28-20-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3
InChIKeyZHCSFCFMQCQIAR-UHFFFAOYSA-N
MW443.01 g/mol
LogP6.06
Rot. Bonds12

About tribenzyl 1-chloropropyl silicate

tribenzyl 1-chloropropyl silicate (PubChem CID 175318529) has the molecular formula C24H27ClO4Si and a molecular weight of 443.01 g/mol. Its IUPAC name is tribenzyl 1-chloropropyl silicate.

Molecular Properties

Compound Nametribenzyl 1-chloropropyl silicate
PubChem CID175318529
Molecular FormulaC24H27ClO4Si
Molecular Weight443.01 g/mol
Exact Mass442.14
IUPAC Nametribenzyl 1-chloropropyl silicate
SMILESCCC(Cl)O[Si](OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H27ClO4Si/c1-2-24(25)29-30(26-18-21-12-6-3-7-13-21,27-19-22-14-8-4-9-15-22)28-20-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3
InChIKeyZHCSFCFMQCQIAR-UHFFFAOYSA-N
XLogP6.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.01
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tribenzyl 1-bromopropyl silicate
CID 175262036
benzyl triethyl silicate
CID 14245028
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
dibenzyl 4-chlorobutyl ethyl silicate
CID 70552278
1-chloroethoxymethylbenzene
CID 12510706
butan-2-yloxymethylbenzene;ethane
CID 161043537
tribenzyl cyclohexyl silicate
CID 140793661
benzyl 2-chloro-3-oxobutanoate
CID 10922235
(213C)ethoxymethylbenzene
CID 87947851
chloro-ethyl-diphenylphosphanium
CID 15830242
1-chloroprop-2-enoxymethylbenzene
CID 175273540
butan-2-ylperoxymethylbenzene
CID 151429391

Frequently Asked Questions

What is the IUPAC name of tribenzyl 1-chloropropyl silicate?
The IUPAC name of tribenzyl 1-chloropropyl silicate (CID 175318529) is tribenzyl 1-chloropropyl silicate.
What is the SMILES notation for tribenzyl 1-chloropropyl silicate?
The canonical SMILES for tribenzyl 1-chloropropyl silicate is CCC(Cl)O[Si](OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of tribenzyl 1-chloropropyl silicate?
The InChIKey is ZHCSFCFMQCQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClO4Si/c1-2-24(25)29-30(26-18-21-12-6-3-7-13-21,27-19-22-14-8-4-9-15-22)28-20-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3.
What are the key properties of tribenzyl 1-chloropropyl silicate?
tribenzyl 1-chloropropyl silicate has a molecular weight of 443.01 g/mol, XLogP of 6.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl 1-chloropropyl silicate is sourced from PubChem (CID 175318529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).