[2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane

C16H27BrSi — CID 137329878

IUPAC[2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane
SMILESC[SiH](C)C(C(C)(C)C)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C16H27BrSi/c1-15(2,3)14(18(6)7)16(4,5)12-9-8-10-13(17)11-12/h8-11,14,18H,1-7H3
InChIKeyKICQNIRMPXTCQI-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.63
Rot. Bonds3

About [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane

[2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane (PubChem CID 137329878) has the molecular formula C16H27BrSi and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane.

Molecular Properties

Compound Name[2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane
PubChem CID137329878
Molecular FormulaC16H27BrSi
Molecular Weight327.38 g/mol
Exact Mass326.11
IUPAC Name[2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane
SMILESC[SiH](C)C(C(C)(C)C)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C16H27BrSi/c1-15(2,3)14(18(6)7)16(4,5)12-9-8-10-13(17)11-12/h8-11,14,18H,1-7H3
InChIKeyKICQNIRMPXTCQI-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
2-(3-bromophenyl)-2,3-dimethylbutanoyl chloride
CID 117048084
1-bromo-3-(2-isocyanopropan-2-yl)benzene
CID 58883473
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
1-bromo-3-(2-chlorobutan-2-yl)benzene
CID 171061964
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
CID 140824221
1-(3-bromophenyl)-1,1-difluoropropan-2-amine
CID 91926944
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane?
The IUPAC name of [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane (CID 137329878) is [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane.
What is the SMILES notation for [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane?
The canonical SMILES for [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane is C[SiH](C)C(C(C)(C)C)C(C)(C)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane?
The InChIKey is KICQNIRMPXTCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrSi/c1-15(2,3)14(18(6)7)16(4,5)12-9-8-10-13(17)11-12/h8-11,14,18H,1-7H3.
What are the key properties of [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane?
[2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane has a molecular weight of 327.38 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-2,4,4-trimethylpentan-3-yl]-dimethylsilane is sourced from PubChem (CID 137329878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).