[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol

C11H24O3Si — CID 175142220

IUPAC[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol
SMILESCCCC[Si](CO)(CO)C1CCCCO1
InChIInChI=1S/C11H24O3Si/c1-2-3-8-15(9-12,10-13)11-6-4-5-7-14-11/h11-13H,2-10H2,1H3
InChIKeySBQNYZJLOAQFHE-UHFFFAOYSA-N
MW232.40 g/mol
LogP1.41
Rot. Bonds6

About [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol

[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol (PubChem CID 175142220) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol.

Molecular Properties

Compound Name[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol
PubChem CID175142220
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol
SMILESCCCC[Si](CO)(CO)C1CCCCO1
InChIInChI=1S/C11H24O3Si/c1-2-3-8-15(9-12,10-13)11-6-4-5-7-14-11/h11-13H,2-10H2,1H3
InChIKeySBQNYZJLOAQFHE-UHFFFAOYSA-N
XLogP1.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol 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-(hydroxymethyl)-(oxan-2-yl)silyl]methanol?
The IUPAC name of [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol (CID 175142220) is [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol.
What is the SMILES notation for [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol?
The canonical SMILES for [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol is CCCC[Si](CO)(CO)C1CCCCO1.
What is the InChIKey of [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol?
The InChIKey is SBQNYZJLOAQFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-2-3-8-15(9-12,10-13)11-6-4-5-7-14-11/h11-13H,2-10H2,1H3.
What are the key properties of [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol?
[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol has a molecular weight of 232.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol is sourced from PubChem (CID 175142220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).