[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane

C12H18BrClSi — CID 106324242

IUPAC[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)c1cccc(Br)c1
InChIInChI=1S/C12H18BrClSi/c1-15(2,3)9-11(8-14)10-5-4-6-12(13)7-10/h4-7,11H,8-9H2,1-3H3
InChIKeyHGBTZLONAZYQPH-UHFFFAOYSA-N
MW305.72 g/mol
LogP5.11
Rot. Bonds4

About [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane

[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane (PubChem CID 106324242) has the molecular formula C12H18BrClSi and a molecular weight of 305.72 g/mol. Its IUPAC name is [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane
PubChem CID106324242
Molecular FormulaC12H18BrClSi
Molecular Weight305.72 g/mol
Exact Mass304.00
IUPAC Name[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)c1cccc(Br)c1
InChIInChI=1S/C12H18BrClSi/c1-15(2,3)9-11(8-14)10-5-4-6-12(13)7-10/h4-7,11H,8-9H2,1-3H3
InChIKeyHGBTZLONAZYQPH-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.72
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
CID 106323819
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813
1-bromo-3-(1-chloro-4-ethylsulfonylbutan-2-yl)benzene
CID 79433004
1-bromo-3-[1-chloro-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]benzene
CID 112592474
5-[2-(3-bromophenyl)-3-chloropropyl]-1,3-thiazole
CID 112645361
5-[2-(3-bromophenyl)-3-chloropropyl]-4-chloro-1,3-dimethylpyrazole
CID 79431748
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene
CID 79433512
2-[2-(3-bromophenyl)-3-chloropropyl]oxolane
CID 79431236
1-bromo-3-(1-chloro-3-methylhexan-2-yl)benzene
CID 107893281
1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 79432007
1-bromo-3-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79430597

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane?
The IUPAC name of [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane (CID 106324242) is [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane.
What is the SMILES notation for [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane?
The canonical SMILES for [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane is C[Si](C)(C)CC(CCl)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane?
The InChIKey is HGBTZLONAZYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClSi/c1-15(2,3)9-11(8-14)10-5-4-6-12(13)7-10/h4-7,11H,8-9H2,1-3H3.
What are the key properties of [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane?
[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane has a molecular weight of 305.72 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane is sourced from PubChem (CID 106324242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).