3-(bromomethyl)penta-1,4-dien-3-yloxysilane

C6H11BrOSi — CID 123209562

IUPAC3-(bromomethyl)penta-1,4-dien-3-yloxysilane
SMILESC=CC(C=C)(CBr)O[SiH3]
InChIInChI=1S/C6H11BrOSi/c1-3-6(4-2,5-7)8-9/h3-4H,1-2,5H2,9H3
InChIKeyVUFLVZPDVXVYFX-UHFFFAOYSA-N
MW207.14 g/mol
LogP0.79
Rot. Bonds4

About 3-(bromomethyl)penta-1,4-dien-3-yloxysilane

3-(bromomethyl)penta-1,4-dien-3-yloxysilane (PubChem CID 123209562) has the molecular formula C6H11BrOSi and a molecular weight of 207.14 g/mol. Its IUPAC name is 3-(bromomethyl)penta-1,4-dien-3-yloxysilane.

Molecular Properties

Compound Name3-(bromomethyl)penta-1,4-dien-3-yloxysilane
PubChem CID123209562
Molecular FormulaC6H11BrOSi
Molecular Weight207.14 g/mol
Exact Mass205.98
IUPAC Name3-(bromomethyl)penta-1,4-dien-3-yloxysilane
SMILESC=CC(C=C)(CBr)O[SiH3]
InChIInChI=1S/C6H11BrOSi/c1-3-6(4-2,5-7)8-9/h3-4H,1-2,5H2,9H3
InChIKeyVUFLVZPDVXVYFX-UHFFFAOYSA-N
XLogP0.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 50.79
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylpenta-1,4-dien-3-yloxysilane
CID 123747545
1-bromo-2-methylbut-3-en-2-ol
CID 551234
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
but-1-ene;ethane;ethene;propane
CID 144521241
3-(bromomethyl)-3-methylhepta-1,6-diene
CID 165447101
2,2-dimethoxybut-3-enoxysilane
CID 123461091
[bis[[ethenyl(dimethyl)silyl]oxy]-silyloxymethoxy]-ethenyl-dimethylsilane
CID 123662949
1,1-dimethoxybut-3-enoxysilane
CID 172998295
(2R)-2-(bromomethyl)-2-hydroxybut-3-enoic acid
CID 156876144
ethenyl-[1-[ethenyl(dimethyl)silyl]oxy-1-silyloxybut-3-enoxy]-dimethylsilane
CID 123823482
3,3,3-trichloroprop-1-ene
CID 157415991
ethenoxysilane
CID 71403767

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)penta-1,4-dien-3-yloxysilane?
The IUPAC name of 3-(bromomethyl)penta-1,4-dien-3-yloxysilane (CID 123209562) is 3-(bromomethyl)penta-1,4-dien-3-yloxysilane.
What is the SMILES notation for 3-(bromomethyl)penta-1,4-dien-3-yloxysilane?
The canonical SMILES for 3-(bromomethyl)penta-1,4-dien-3-yloxysilane is C=CC(C=C)(CBr)O[SiH3].
What is the InChIKey of 3-(bromomethyl)penta-1,4-dien-3-yloxysilane?
The InChIKey is VUFLVZPDVXVYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrOSi/c1-3-6(4-2,5-7)8-9/h3-4H,1-2,5H2,9H3.
What are the key properties of 3-(bromomethyl)penta-1,4-dien-3-yloxysilane?
3-(bromomethyl)penta-1,4-dien-3-yloxysilane has a molecular weight of 207.14 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)penta-1,4-dien-3-yloxysilane is sourced from PubChem (CID 123209562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).