1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane

C12H19BrSi — CID 15140804

IUPAC1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane
SMILESCC(c1ccccc1CBr)[Si](C)(C)C
InChIInChI=1S/C12H19BrSi/c1-10(14(2,3)4)12-8-6-5-7-11(12)9-13/h5-8,10H,9H2,1-4H3
InChIKeyOOXBQVYYIRWNFU-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.56
Rot. Bonds3

About 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane

1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane (PubChem CID 15140804) has the molecular formula C12H19BrSi and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane.

Molecular Properties

Compound Name1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane
PubChem CID15140804
Molecular FormulaC12H19BrSi
Molecular Weight271.27 g/mol
Exact Mass270.04
IUPAC Name1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane
SMILESCC(c1ccccc1CBr)[Si](C)(C)C
InChIInChI=1S/C12H19BrSi/c1-10(14(2,3)4)12-8-6-5-7-11(12)9-13/h5-8,10H,9H2,1-4H3
InChIKeyOOXBQVYYIRWNFU-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.56
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

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CID 11052509
(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide
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CID 11110991
1-(bromomethyl)-2-decan-3-ylbenzene
CID 19808859
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
3-[2-(bromomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869229
4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
CID 19938176
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
3-(bromomethyl)-2-propylpyridine
CID 141230444
2-(2-ethylphenyl)-N-methylpropan-1-amine
CID 105425338
2-[2-(bromomethyl)phenyl]propan-2-ol
CID 139754869

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane?
The IUPAC name of 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane (CID 15140804) is 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane.
What is the SMILES notation for 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane?
The canonical SMILES for 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane is CC(c1ccccc1CBr)[Si](C)(C)C.
What is the InChIKey of 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane?
The InChIKey is OOXBQVYYIRWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrSi/c1-10(14(2,3)4)12-8-6-5-7-11(12)9-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane?
1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane has a molecular weight of 271.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane is sourced from PubChem (CID 15140804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).