3-bromoprop-2-ynoxy(tributyl)silane

C15H29BrOSi — CID 134875386

IUPAC3-bromoprop-2-ynoxy(tributyl)silane
SMILESCCCC[Si](CCCC)(CCCC)OCC#CBr
InChIInChI=1S/C15H29BrOSi/c1-4-7-13-18(14-8-5-2,15-9-6-3)17-12-10-11-16/h4-9,12-15H2,1-3H3
InChIKeyAUKRZEAEXJLDGH-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.70
Rot. Bonds11

About 3-bromoprop-2-ynoxy(tributyl)silane

3-bromoprop-2-ynoxy(tributyl)silane (PubChem CID 134875386) has the molecular formula C15H29BrOSi and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-bromoprop-2-ynoxy(tributyl)silane.

Molecular Properties

Compound Name3-bromoprop-2-ynoxy(tributyl)silane
PubChem CID134875386
Molecular FormulaC15H29BrOSi
Molecular Weight333.39 g/mol
Exact Mass332.12
IUPAC Name3-bromoprop-2-ynoxy(tributyl)silane
SMILESCCCC[Si](CCCC)(CCCC)OCC#CBr
InChIInChI=1S/C15H29BrOSi/c1-4-7-13-18(14-8-5-2,15-9-6-3)17-12-10-11-16/h4-9,12-15H2,1-3H3
InChIKeyAUKRZEAEXJLDGH-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl(8-tributylsilyloxyoct-4-ynoxy)silane
CID 135048691
butoxy(tributyl)silane
CID 594608
dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187
tributyl(decoxy)silane
CID 523467
tetrakis(tributylsilyl) silicate
CID 163284439
tributyl(germyloxy)silane
CID 159018718
butoxy-dibutyl-ethylsilane
CID 141095554
trihexadecyl(propoxy)silane
CID 172579393
butoxy-[3-[butoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87143618
butyl-methoxy-dipropylsilane
CID 22228688
ethoxy-[3-[ethoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87144447
tributyl(2-ethylhexoxy)silane
CID 623167

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-2-ynoxy(tributyl)silane?
The IUPAC name of 3-bromoprop-2-ynoxy(tributyl)silane (CID 134875386) is 3-bromoprop-2-ynoxy(tributyl)silane.
What is the SMILES notation for 3-bromoprop-2-ynoxy(tributyl)silane?
The canonical SMILES for 3-bromoprop-2-ynoxy(tributyl)silane is CCCC[Si](CCCC)(CCCC)OCC#CBr.
What is the InChIKey of 3-bromoprop-2-ynoxy(tributyl)silane?
The InChIKey is AUKRZEAEXJLDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrOSi/c1-4-7-13-18(14-8-5-2,15-9-6-3)17-12-10-11-16/h4-9,12-15H2,1-3H3.
What are the key properties of 3-bromoprop-2-ynoxy(tributyl)silane?
3-bromoprop-2-ynoxy(tributyl)silane has a molecular weight of 333.39 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-2-ynoxy(tributyl)silane is sourced from PubChem (CID 134875386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).