2-(silylmethylidene)propane-1,3-diol

C4H10O2Si — CID 174939066

IUPAC2-(silylmethylidene)propane-1,3-diol
SMILESOCC(=C[SiH3])CO
InChIInChI=1S/C4H10O2Si/c5-1-4(2-6)3-7/h3,5-6H,1-2H2,7H3
InChIKeyWTHOZPUBUHLOBM-UHFFFAOYSA-N
MW118.21 g/mol
LogP-1.78
Rot. Bonds2

About 2-(silylmethylidene)propane-1,3-diol

2-(silylmethylidene)propane-1,3-diol (PubChem CID 174939066) has the molecular formula C4H10O2Si and a molecular weight of 118.21 g/mol. Its IUPAC name is 2-(silylmethylidene)propane-1,3-diol.

Molecular Properties

Compound Name2-(silylmethylidene)propane-1,3-diol
PubChem CID174939066
Molecular FormulaC4H10O2Si
Molecular Weight118.21 g/mol
Exact Mass118.05
IUPAC Name2-(silylmethylidene)propane-1,3-diol
SMILESOCC(=C[SiH3])CO
InChIInChI=1S/C4H10O2Si/c5-1-4(2-6)3-7/h3,5-6H,1-2H2,7H3
InChIKeyWTHOZPUBUHLOBM-UHFFFAOYSA-N
XLogP-1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.21
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(silylmethylidene)propane-1,3-diol 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 2-(silylmethylidene)propane-1,3-diol?
The IUPAC name of 2-(silylmethylidene)propane-1,3-diol (CID 174939066) is 2-(silylmethylidene)propane-1,3-diol.
What is the SMILES notation for 2-(silylmethylidene)propane-1,3-diol?
The canonical SMILES for 2-(silylmethylidene)propane-1,3-diol is OCC(=C[SiH3])CO.
What is the InChIKey of 2-(silylmethylidene)propane-1,3-diol?
The InChIKey is WTHOZPUBUHLOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2Si/c5-1-4(2-6)3-7/h3,5-6H,1-2H2,7H3.
What are the key properties of 2-(silylmethylidene)propane-1,3-diol?
2-(silylmethylidene)propane-1,3-diol has a molecular weight of 118.21 g/mol, XLogP of -1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(silylmethylidene)propane-1,3-diol is sourced from PubChem (CID 174939066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).