bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane

C14H19BrOSi — CID 10380736

IUPACbromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane
SMILESCC(C)(C#Cc1ccccc1)O[Si](C)(C)CBr
InChIInChI=1S/C14H19BrOSi/c1-14(2,16-17(3,4)12-15)11-10-13-8-6-5-7-9-13/h5-9H,12H2,1-4H3
InChIKeyJTERCVUVBXMCFZ-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.97
Rot. Bonds3

About bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane

bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane (PubChem CID 10380736) has the molecular formula C14H19BrOSi and a molecular weight of 311.29 g/mol. Its IUPAC name is bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane.

Molecular Properties

Compound Namebromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane
PubChem CID10380736
Molecular FormulaC14H19BrOSi
Molecular Weight311.29 g/mol
Exact Mass310.04
IUPAC Namebromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane
SMILESCC(C)(C#Cc1ccccc1)O[Si](C)(C)CBr
InChIInChI=1S/C14H19BrOSi/c1-14(2,16-17(3,4)12-15)11-10-13-8-6-5-7-9-13/h5-9H,12H2,1-4H3
InChIKeyJTERCVUVBXMCFZ-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.97
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxybut-1-ynylbenzene
CID 14492597
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
trimethyl-(2-methyl-4-thiophen-2-ylbut-3-yn-2-yl)oxysilane
CID 146003769
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
trimethyl-(4-phenyl-2-pyridin-3-ylbut-3-yn-2-yl)oxysilane
CID 10990100
[2-methyl-4-[4-(2-phenylethynyl)phenyl]but-3-yn-2-yl] 4-bromobenzoate
CID 122392266
(3R)-3-methoxy-3-methyl-5-phenylpent-4-ynal
CID 11424218
(3S)-3-methoxy-3-methyl-5-phenylpent-4-ynal
CID 101198634
(3-benzyl-3-methylpenta-1,4-diynyl)benzene
CID 173077955
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
CID 91281470

Frequently Asked Questions

What is the IUPAC name of bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane?
The IUPAC name of bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane (CID 10380736) is bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane.
What is the SMILES notation for bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane?
The canonical SMILES for bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane is CC(C)(C#Cc1ccccc1)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane?
The InChIKey is JTERCVUVBXMCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOSi/c1-14(2,16-17(3,4)12-15)11-10-13-8-6-5-7-9-13/h5-9H,12H2,1-4H3.
What are the key properties of bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane?
bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane has a molecular weight of 311.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-(2-methyl-4-phenylbut-3-yn-2-yl)oxysilane is sourced from PubChem (CID 10380736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).