2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane

C17H28BrClOSi — CID 168914954

IUPAC2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCc1cc(Br)ccc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C17H28BrClOSi/c1-12(2)21(13(3)4,14(5)6)20-10-9-15-11-16(18)7-8-17(15)19/h7-8,11-14H,9-10H2,1-6H3
InChIKeyQAJZESHPQSDJSC-UHFFFAOYSA-N
MW391.85 g/mol
LogP6.84
Rot. Bonds7

About 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane

2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane (PubChem CID 168914954) has the molecular formula C17H28BrClOSi and a molecular weight of 391.85 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane
PubChem CID168914954
Molecular FormulaC17H28BrClOSi
Molecular Weight391.85 g/mol
Exact Mass390.08
IUPAC Name2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCc1cc(Br)ccc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C17H28BrClOSi/c1-12(2)21(13(3)4,14(5)6)20-10-9-15-11-16(18)7-8-17(15)19/h7-8,11-14H,9-10H2,1-6H3
InChIKeyQAJZESHPQSDJSC-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
CID 172541608
N-[(5-bromo-2-chlorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588161
2-(6-bromo-1,3-benzodioxol-5-yl)ethoxy-tri(propan-2-yl)silane
CID 11989001
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
N-[(5-bromo-2-chlorophenyl)methyl]-2-methoxypropan-1-amine
CID 102795107
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
3-N-[(5-bromo-2-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103792822
(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane
CID 123485495
4-bromo-1-chloro-2-[[4-(2-ethenoxypropoxy)phenyl]methyl]benzene
CID 59557786
3-[(5-bromo-2-chlorophenyl)methylamino]-2-methylbutan-1-ol
CID 115732589
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757558
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
CID 68654630

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane (CID 168914954) is 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCc1cc(Br)ccc1Cl)(C(C)C)C(C)C.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane?
The InChIKey is QAJZESHPQSDJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrClOSi/c1-12(2)21(13(3)4,14(5)6)20-10-9-15-11-16(18)7-8-17(15)19/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane?
2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane has a molecular weight of 391.85 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 168914954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).