butyl(trihydroxy)silane

C4H12O3Si — CID 20700318

IUPACbutyl(trihydroxy)silane
SMILESCCCC[Si](O)(O)O
InChIInChI=1S/C4H12O3Si/c1-2-3-4-8(5,6)7/h5-7H,2-4H2,1H3
InChIKeyVUSHUWOTQWIXAR-UHFFFAOYSA-N
MW136.22 g/mol
LogP-0.30
Rot. Bonds3

About butyl(trihydroxy)silane

butyl(trihydroxy)silane (PubChem CID 20700318) has the molecular formula C4H12O3Si and a molecular weight of 136.22 g/mol. Its IUPAC name is butyl(trihydroxy)silane.

Molecular Properties

Compound Namebutyl(trihydroxy)silane
PubChem CID20700318
Molecular FormulaC4H12O3Si
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Namebutyl(trihydroxy)silane
SMILESCCCC[Si](O)(O)O
InChIInChI=1S/C4H12O3Si/c1-2-3-4-8(5,6)7/h5-7H,2-4H2,1H3
InChIKeyVUSHUWOTQWIXAR-UHFFFAOYSA-N
XLogP-0.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl(trihydroxy)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl(trihydroxy)silane?
The IUPAC name of butyl(trihydroxy)silane (CID 20700318) is butyl(trihydroxy)silane.
What is the SMILES notation for butyl(trihydroxy)silane?
The canonical SMILES for butyl(trihydroxy)silane is CCCC[Si](O)(O)O.
What is the InChIKey of butyl(trihydroxy)silane?
The InChIKey is VUSHUWOTQWIXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3Si/c1-2-3-4-8(5,6)7/h5-7H,2-4H2,1H3.
What are the key properties of butyl(trihydroxy)silane?
butyl(trihydroxy)silane has a molecular weight of 136.22 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trihydroxy)silane is sourced from PubChem (CID 20700318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).