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

C9H20O6Si — CID 140994366

IUPAC1,2-dihydroxy-6-trimethoxysilylhexan-3-one
SMILESCO[Si](CCCC(=O)C(O)CO)(OC)OC
InChIInChI=1S/C9H20O6Si/c1-13-16(14-2,15-3)6-4-5-8(11)9(12)7-10/h9-10,12H,4-7H2,1-3H3
InChIKeyXEPSYOXYLCGUPJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.43
Rot. Bonds9

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

1,2-dihydroxy-6-trimethoxysilylhexan-3-one (PubChem CID 140994366) has the molecular formula C9H20O6Si and a molecular weight of 252.34 g/mol. Its IUPAC name is 1,2-dihydroxy-6-trimethoxysilylhexan-3-one.

Molecular Properties

Compound Name1,2-dihydroxy-6-trimethoxysilylhexan-3-one
PubChem CID140994366
Molecular FormulaC9H20O6Si
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1,2-dihydroxy-6-trimethoxysilylhexan-3-one
SMILESCO[Si](CCCC(=O)C(O)CO)(OC)OC
InChIInChI=1S/C9H20O6Si/c1-13-16(14-2,15-3)6-4-5-8(11)9(12)7-10/h9-10,12H,4-7H2,1-3H3
InChIKeyXEPSYOXYLCGUPJ-UHFFFAOYSA-N
XLogP-0.43
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-6-trimethoxysilylhexan-3-one?
The IUPAC name of 1,2-dihydroxy-6-trimethoxysilylhexan-3-one (CID 140994366) is 1,2-dihydroxy-6-trimethoxysilylhexan-3-one.
What is the SMILES notation for 1,2-dihydroxy-6-trimethoxysilylhexan-3-one?
The canonical SMILES for 1,2-dihydroxy-6-trimethoxysilylhexan-3-one is CO[Si](CCCC(=O)C(O)CO)(OC)OC.
What is the InChIKey of 1,2-dihydroxy-6-trimethoxysilylhexan-3-one?
The InChIKey is XEPSYOXYLCGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6Si/c1-13-16(14-2,15-3)6-4-5-8(11)9(12)7-10/h9-10,12H,4-7H2,1-3H3.
What are the key properties of 1,2-dihydroxy-6-trimethoxysilylhexan-3-one?
1,2-dihydroxy-6-trimethoxysilylhexan-3-one has a molecular weight of 252.34 g/mol, XLogP of -0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-6-trimethoxysilylhexan-3-one is sourced from PubChem (CID 140994366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).