butan-2-yloxy(tributyl)silane

C16H36OSi — CID 612001

IUPACbutan-2-yloxy(tributyl)silane
SMILESCCCC[Si](CCCC)(CCCC)OC(C)CC
InChIInChI=1S/C16H36OSi/c1-6-10-13-18(14-11-7-2,15-12-8-3)17-16(5)9-4/h16H,6-15H2,1-5H3
InChIKeyNJMFUTIWAKRQBA-UHFFFAOYSA-N
MW272.55 g/mol
LogP6.15
Rot. Bonds12

About butan-2-yloxy(tributyl)silane

butan-2-yloxy(tributyl)silane (PubChem CID 612001) has the molecular formula C16H36OSi and a molecular weight of 272.55 g/mol. Its IUPAC name is butan-2-yloxy(tributyl)silane.

Molecular Properties

Compound Namebutan-2-yloxy(tributyl)silane
PubChem CID612001
Molecular FormulaC16H36OSi
Molecular Weight272.55 g/mol
Exact Mass272.25
IUPAC Namebutan-2-yloxy(tributyl)silane
SMILESCCCC[Si](CCCC)(CCCC)OC(C)CC
InChIInChI=1S/C16H36OSi/c1-6-10-13-18(14-11-7-2,15-12-8-3)17-16(5)9-4/h16H,6-15H2,1-5H3
InChIKeyNJMFUTIWAKRQBA-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.55
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy(tributyl)silane?
The IUPAC name of butan-2-yloxy(tributyl)silane (CID 612001) is butan-2-yloxy(tributyl)silane.
What is the SMILES notation for butan-2-yloxy(tributyl)silane?
The canonical SMILES for butan-2-yloxy(tributyl)silane is CCCC[Si](CCCC)(CCCC)OC(C)CC.
What is the InChIKey of butan-2-yloxy(tributyl)silane?
The InChIKey is NJMFUTIWAKRQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36OSi/c1-6-10-13-18(14-11-7-2,15-12-8-3)17-16(5)9-4/h16H,6-15H2,1-5H3.
What are the key properties of butan-2-yloxy(tributyl)silane?
butan-2-yloxy(tributyl)silane has a molecular weight of 272.55 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy(tributyl)silane is sourced from PubChem (CID 612001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).