6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one

C11H24O5Si — CID 155670674

IUPAC6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one
SMILESCCO[Si](C)(CCCC(=O)C(O)CO)OCC
InChIInChI=1S/C11H24O5Si/c1-4-15-17(3,16-5-2)8-6-7-10(13)11(14)9-12/h11-12,14H,4-9H2,1-3H3
InChIKeyHYUHQFTWRIGULO-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.83
Rot. Bonds10

About 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one

6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one (PubChem CID 155670674) has the molecular formula C11H24O5Si and a molecular weight of 264.39 g/mol. Its IUPAC name is 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one.

Molecular Properties

Compound Name6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one
PubChem CID155670674
Molecular FormulaC11H24O5Si
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Name6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one
SMILESCCO[Si](C)(CCCC(=O)C(O)CO)OCC
InChIInChI=1S/C11H24O5Si/c1-4-15-17(3,16-5-2)8-6-7-10(13)11(14)9-12/h11-12,14H,4-9H2,1-3H3
InChIKeyHYUHQFTWRIGULO-UHFFFAOYSA-N
XLogP0.83
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one?
The IUPAC name of 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one (CID 155670674) is 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one.
What is the SMILES notation for 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one?
The canonical SMILES for 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one is CCO[Si](C)(CCCC(=O)C(O)CO)OCC.
What is the InChIKey of 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one?
The InChIKey is HYUHQFTWRIGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5Si/c1-4-15-17(3,16-5-2)8-6-7-10(13)11(14)9-12/h11-12,14H,4-9H2,1-3H3.
What are the key properties of 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one?
6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one has a molecular weight of 264.39 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one is sourced from PubChem (CID 155670674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).