butan-2-yloxysilane

C4H12OSi — CID 123412475

IUPACbutan-2-yloxysilane
SMILESCCC(C)O[SiH3]
InChIInChI=1S/C4H12OSi/c1-3-4(2)5-6/h4H,3H2,1-2,6H3
InChIKeyXWQLYVIMMBLXPY-UHFFFAOYSA-N
MW104.23 g/mol
LogP0.08
Rot. Bonds2

About butan-2-yloxysilane

butan-2-yloxysilane (PubChem CID 123412475) has the molecular formula C4H12OSi and a molecular weight of 104.23 g/mol. Its IUPAC name is butan-2-yloxysilane.

Molecular Properties

Compound Namebutan-2-yloxysilane
PubChem CID123412475
Molecular FormulaC4H12OSi
Molecular Weight104.23 g/mol
Exact Mass104.07
IUPAC Namebutan-2-yloxysilane
SMILESCCC(C)O[SiH3]
InChIInChI=1S/C4H12OSi/c1-3-4(2)5-6/h4H,3H2,1-2,6H3
InChIKeyXWQLYVIMMBLXPY-UHFFFAOYSA-N
XLogP0.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.23
LogP ≤ 50.08
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-yloxysilane?
The IUPAC name of butan-2-yloxysilane (CID 123412475) is butan-2-yloxysilane.
What is the SMILES notation for butan-2-yloxysilane?
The canonical SMILES for butan-2-yloxysilane is CCC(C)O[SiH3].
What is the InChIKey of butan-2-yloxysilane?
The InChIKey is XWQLYVIMMBLXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12OSi/c1-3-4(2)5-6/h4H,3H2,1-2,6H3.
What are the key properties of butan-2-yloxysilane?
butan-2-yloxysilane has a molecular weight of 104.23 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxysilane is sourced from PubChem (CID 123412475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).