2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane

C16H27BrOSi — CID 18619316

IUPAC2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)c1cccc(CBr)c1
InChIInChI=1S/C16H27BrOSi/c1-6-19(7-2,8-3)18-16(4,5)15-11-9-10-14(12-15)13-17/h9-12H,6-8,13H2,1-5H3
InChIKeyWTHOFLLTGJPJFB-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.84
Rot. Bonds7

About 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane

2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane (PubChem CID 18619316) has the molecular formula C16H27BrOSi and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane.

Molecular Properties

Compound Name2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane
PubChem CID18619316
Molecular FormulaC16H27BrOSi
Molecular Weight343.38 g/mol
Exact Mass342.10
IUPAC Name2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)c1cccc(CBr)c1
InChIInChI=1S/C16H27BrOSi/c1-6-19(7-2,8-3)18-16(4,5)15-11-9-10-14(12-15)13-17/h9-12H,6-8,13H2,1-5H3
InChIKeyWTHOFLLTGJPJFB-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite
CID 176550278
1-(bromomethyl)-3-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene
CID 162007263
3-(bromomethyl)-N-propylaniline
CID 166487447
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
(2S)-2,3-diphenyl-2-triethylsilyloxypropanal
CID 102088595
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 59692130
3-(bromomethyl)-N-methylaniline
CID 147410245
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
CID 117111249
methyl 2-[3-(bromomethyl)phenoxy]-2-methylpropanoate
CID 89252083
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114916
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane?
The IUPAC name of 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane (CID 18619316) is 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane.
What is the SMILES notation for 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane?
The canonical SMILES for 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)c1cccc(CBr)c1.
What is the InChIKey of 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane?
The InChIKey is WTHOFLLTGJPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrOSi/c1-6-19(7-2,8-3)18-16(4,5)15-11-9-10-14(12-15)13-17/h9-12H,6-8,13H2,1-5H3.
What are the key properties of 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane?
2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane has a molecular weight of 343.38 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane is sourced from PubChem (CID 18619316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).