1,2-dihydroxy-6-triethoxysilylhexan-3-one

C12H26O6Si — CID 141028152

IUPAC1,2-dihydroxy-6-triethoxysilylhexan-3-one
SMILESCCO[Si](CCCC(=O)C(O)CO)(OCC)OCC
InChIInChI=1S/C12H26O6Si/c1-4-16-19(17-5-2,18-6-3)9-7-8-11(14)12(15)10-13/h12-13,15H,4-10H2,1-3H3
InChIKeyCZOCFNFGHIIEGV-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.74
Rot. Bonds12

About 1,2-dihydroxy-6-triethoxysilylhexan-3-one

1,2-dihydroxy-6-triethoxysilylhexan-3-one (PubChem CID 141028152) has the molecular formula C12H26O6Si and a molecular weight of 294.42 g/mol. Its IUPAC name is 1,2-dihydroxy-6-triethoxysilylhexan-3-one.

Molecular Properties

Compound Name1,2-dihydroxy-6-triethoxysilylhexan-3-one
PubChem CID141028152
Molecular FormulaC12H26O6Si
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1,2-dihydroxy-6-triethoxysilylhexan-3-one
SMILESCCO[Si](CCCC(=O)C(O)CO)(OCC)OCC
InChIInChI=1S/C12H26O6Si/c1-4-16-19(17-5-2,18-6-3)9-7-8-11(14)12(15)10-13/h12-13,15H,4-10H2,1-3H3
InChIKeyCZOCFNFGHIIEGV-UHFFFAOYSA-N
XLogP0.74
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,2-dihydroxy-6-triethoxysilylhexan-3-one 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 1,2-dihydroxy-6-triethoxysilylhexan-3-one?
The IUPAC name of 1,2-dihydroxy-6-triethoxysilylhexan-3-one (CID 141028152) is 1,2-dihydroxy-6-triethoxysilylhexan-3-one.
What is the SMILES notation for 1,2-dihydroxy-6-triethoxysilylhexan-3-one?
The canonical SMILES for 1,2-dihydroxy-6-triethoxysilylhexan-3-one is CCO[Si](CCCC(=O)C(O)CO)(OCC)OCC.
What is the InChIKey of 1,2-dihydroxy-6-triethoxysilylhexan-3-one?
The InChIKey is CZOCFNFGHIIEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6Si/c1-4-16-19(17-5-2,18-6-3)9-7-8-11(14)12(15)10-13/h12-13,15H,4-10H2,1-3H3.
What are the key properties of 1,2-dihydroxy-6-triethoxysilylhexan-3-one?
1,2-dihydroxy-6-triethoxysilylhexan-3-one has a molecular weight of 294.42 g/mol, XLogP of 0.74, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-6-triethoxysilylhexan-3-one is sourced from PubChem (CID 141028152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).