3-methylbutoxysilane

C5H14OSi — CID 123427672

IUPAC3-methylbutoxysilane
SMILESCC(C)CCO[SiH3]
InChIInChI=1S/C5H14OSi/c1-5(2)3-4-6-7/h5H,3-4H2,1-2,7H3
InChIKeyVEJZBWFUQWWOHS-UHFFFAOYSA-N
MW118.25 g/mol
LogP0.33
Rot. Bonds3

About 3-methylbutoxysilane

3-methylbutoxysilane (PubChem CID 123427672) has the molecular formula C5H14OSi and a molecular weight of 118.25 g/mol. Its IUPAC name is 3-methylbutoxysilane.

Molecular Properties

Compound Name3-methylbutoxysilane
PubChem CID123427672
Molecular FormulaC5H14OSi
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Name3-methylbutoxysilane
SMILESCC(C)CCO[SiH3]
InChIInChI=1S/C5H14OSi/c1-5(2)3-4-6-7/h5H,3-4H2,1-2,7H3
InChIKeyVEJZBWFUQWWOHS-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methylbutoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
CID 148792664
CID 148792664
3-methylbutyl hypobromite
CID 141146646
3-methylbutoxygallane
CID 174485666
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methylbutoxyphosphane;hydrobromide
CID 175546648
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
3-methylbutyl hydrogen sulfite
CID 22742081

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxysilane?
The IUPAC name of 3-methylbutoxysilane (CID 123427672) is 3-methylbutoxysilane.
What is the SMILES notation for 3-methylbutoxysilane?
The canonical SMILES for 3-methylbutoxysilane is CC(C)CCO[SiH3].
What is the InChIKey of 3-methylbutoxysilane?
The InChIKey is VEJZBWFUQWWOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSi/c1-5(2)3-4-6-7/h5H,3-4H2,1-2,7H3.
What are the key properties of 3-methylbutoxysilane?
3-methylbutoxysilane has a molecular weight of 118.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxysilane is sourced from PubChem (CID 123427672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).