tribenzyl 1-bromopropyl silicate

C24H27BrO4Si — CID 175262036

IUPACtribenzyl 1-bromopropyl silicate
SMILESCCC(Br)O[Si](OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H27BrO4Si/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
InChIKeyAMFKCULCJBJECS-UHFFFAOYSA-N
MW487.47 g/mol
LogP6.22
Rot. Bonds12

About tribenzyl 1-bromopropyl silicate

tribenzyl 1-bromopropyl silicate (PubChem CID 175262036) has the molecular formula C24H27BrO4Si and a molecular weight of 487.47 g/mol. Its IUPAC name is tribenzyl 1-bromopropyl silicate.

Molecular Properties

Compound Nametribenzyl 1-bromopropyl silicate
PubChem CID175262036
Molecular FormulaC24H27BrO4Si
Molecular Weight487.47 g/mol
Exact Mass486.09
IUPAC Nametribenzyl 1-bromopropyl silicate
SMILESCCC(Br)O[Si](OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H27BrO4Si/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
InChIKeyAMFKCULCJBJECS-UHFFFAOYSA-N
XLogP6.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.47
LogP ≤ 56.22
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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Frequently Asked Questions

What is the IUPAC name of tribenzyl 1-bromopropyl silicate?
The IUPAC name of tribenzyl 1-bromopropyl silicate (CID 175262036) is tribenzyl 1-bromopropyl silicate.
What is the SMILES notation for tribenzyl 1-bromopropyl silicate?
The canonical SMILES for tribenzyl 1-bromopropyl silicate is CCC(Br)O[Si](OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of tribenzyl 1-bromopropyl silicate?
The InChIKey is AMFKCULCJBJECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrO4Si/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-bromopropyl silicate?
tribenzyl 1-bromopropyl silicate has a molecular weight of 487.47 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl 1-bromopropyl silicate is sourced from PubChem (CID 175262036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).