2,3-dihydroxy-1-trimethoxysilylpropan-1-one

C6H14O6Si — CID 141042063

IUPAC2,3-dihydroxy-1-trimethoxysilylpropan-1-one
SMILESCO[Si](OC)(OC)C(=O)C(O)CO
InChIInChI=1S/C6H14O6Si/c1-10-13(11-2,12-3)6(9)5(8)4-7/h5,7-8H,4H2,1-3H3
InChIKeyDQYSSSMPDOANMM-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.67
Rot. Bonds6

About 2,3-dihydroxy-1-trimethoxysilylpropan-1-one

2,3-dihydroxy-1-trimethoxysilylpropan-1-one (PubChem CID 141042063) has the molecular formula C6H14O6Si and a molecular weight of 210.26 g/mol. Its IUPAC name is 2,3-dihydroxy-1-trimethoxysilylpropan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1-trimethoxysilylpropan-1-one
PubChem CID141042063
Molecular FormulaC6H14O6Si
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2,3-dihydroxy-1-trimethoxysilylpropan-1-one
SMILESCO[Si](OC)(OC)C(=O)C(O)CO
InChIInChI=1S/C6H14O6Si/c1-10-13(11-2,12-3)6(9)5(8)4-7/h5,7-8H,4H2,1-3H3
InChIKeyDQYSSSMPDOANMM-UHFFFAOYSA-N
XLogP-1.67
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.67
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 2,3-dihydroxy-1-trimethoxysilylpropan-1-one?
The IUPAC name of 2,3-dihydroxy-1-trimethoxysilylpropan-1-one (CID 141042063) is 2,3-dihydroxy-1-trimethoxysilylpropan-1-one.
What is the SMILES notation for 2,3-dihydroxy-1-trimethoxysilylpropan-1-one?
The canonical SMILES for 2,3-dihydroxy-1-trimethoxysilylpropan-1-one is CO[Si](OC)(OC)C(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-1-trimethoxysilylpropan-1-one?
The InChIKey is DQYSSSMPDOANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6Si/c1-10-13(11-2,12-3)6(9)5(8)4-7/h5,7-8H,4H2,1-3H3.
What are the key properties of 2,3-dihydroxy-1-trimethoxysilylpropan-1-one?
2,3-dihydroxy-1-trimethoxysilylpropan-1-one has a molecular weight of 210.26 g/mol, XLogP of -1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-trimethoxysilylpropan-1-one is sourced from PubChem (CID 141042063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).