butan-2-yloxymethylsilane

C5H14OSi — CID 154291882

IUPACbutan-2-yloxymethylsilane
SMILESCCC(C)OC[SiH3]
InChIInChI=1S/C5H14OSi/c1-3-5(2)6-4-7/h5H,3-4H2,1-2,7H3
InChIKeyDJNUQJGLWSJCBX-UHFFFAOYSA-N
MW118.25 g/mol
LogP0.12
Rot. Bonds3

About butan-2-yloxymethylsilane

butan-2-yloxymethylsilane (PubChem CID 154291882) has the molecular formula C5H14OSi and a molecular weight of 118.25 g/mol. Its IUPAC name is butan-2-yloxymethylsilane.

Molecular Properties

Compound Namebutan-2-yloxymethylsilane
PubChem CID154291882
Molecular FormulaC5H14OSi
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Namebutan-2-yloxymethylsilane
SMILESCCC(C)OC[SiH3]
InChIInChI=1S/C5H14OSi/c1-3-5(2)6-4-7/h5H,3-4H2,1-2,7H3
InChIKeyDJNUQJGLWSJCBX-UHFFFAOYSA-N
XLogP0.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 50.12
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-yloxymethylsilane?
The IUPAC name of butan-2-yloxymethylsilane (CID 154291882) is butan-2-yloxymethylsilane.
What is the SMILES notation for butan-2-yloxymethylsilane?
The canonical SMILES for butan-2-yloxymethylsilane is CCC(C)OC[SiH3].
What is the InChIKey of butan-2-yloxymethylsilane?
The InChIKey is DJNUQJGLWSJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSi/c1-3-5(2)6-4-7/h5H,3-4H2,1-2,7H3.
What are the key properties of butan-2-yloxymethylsilane?
butan-2-yloxymethylsilane has a molecular weight of 118.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxymethylsilane is sourced from PubChem (CID 154291882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).