2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane

C17H27BrCl2O2Si — CID 172541608

IUPAC2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCOc1c(Cl)cc(Br)cc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C17H27BrCl2O2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-21-17-15(19)9-14(18)10-16(17)20/h9-13H,7-8H2,1-6H3
InChIKeyHGMKFFNPXZTDQH-UHFFFAOYSA-N
MW442.30 g/mol
LogP7.33
Rot. Bonds8

About 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane

2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane (PubChem CID 172541608) has the molecular formula C17H27BrCl2O2Si and a molecular weight of 442.30 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
PubChem CID172541608
Molecular FormulaC17H27BrCl2O2Si
Molecular Weight442.30 g/mol
Exact Mass440.03
IUPAC Name2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCOc1c(Cl)cc(Br)cc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C17H27BrCl2O2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-21-17-15(19)9-14(18)10-16(17)20/h9-13H,7-8H2,1-6H3
InChIKeyHGMKFFNPXZTDQH-UHFFFAOYSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane (CID 172541608) is 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCOc1c(Cl)cc(Br)cc1Cl)(C(C)C)C(C)C.
What is the InChIKey of 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane?
The InChIKey is HGMKFFNPXZTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrCl2O2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-21-17-15(19)9-14(18)10-16(17)20/h9-13H,7-8H2,1-6H3.
What are the key properties of 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane?
2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane has a molecular weight of 442.30 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 172541608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).