5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol

C3H6O5Si — CID 141089914

IUPAC5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol
SMILESCC1O[Si](=O)OC1(O)O
InChIInChI=1S/C3H6O5Si/c1-2-3(4,5)8-9(6)7-2/h2,4-5H,1H3
InChIKeyUKIPDWRPAOVFHP-UHFFFAOYSA-N
MW150.16 g/mol
LogP-1.52
Rot. Bonds

About 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol

5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol (PubChem CID 141089914) has the molecular formula C3H6O5Si and a molecular weight of 150.16 g/mol. Its IUPAC name is 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol.

Molecular Properties

Compound Name5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol
PubChem CID141089914
Molecular FormulaC3H6O5Si
Molecular Weight150.16 g/mol
Exact Mass150.00
IUPAC Name5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol
SMILESCC1O[Si](=O)OC1(O)O
InChIInChI=1S/C3H6O5Si/c1-2-3(4,5)8-9(6)7-2/h2,4-5H,1H3
InChIKeyUKIPDWRPAOVFHP-UHFFFAOYSA-N
XLogP-1.52
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dihydroxyoxirane-2-carbaldehyde
CID 90241709
(3-methyloxiran-2-yl)phosphonic acid
CID 3417
2-methoxy-3-methyloxiran-2-ol
CID 141190129
Phosphomycin calcium salt
CID 45055415
3-methyl-2,4-dioxabicyclo[1.1.0]butan-1-ol
CID 173021166
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
2-fluoro-3-methyloxirane-2-carboxylic acid
CID 151667742
3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
CID 130941655
4,7-dihydroxy-5-methyl-2,6-dioxabicyclo[2.2.1]heptan-3-one
CID 162986433
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
CID 124681147
(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol?
The IUPAC name of 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol (CID 141089914) is 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol.
What is the SMILES notation for 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol?
The canonical SMILES for 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol is CC1O[Si](=O)OC1(O)O.
What is the InChIKey of 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol?
The InChIKey is UKIPDWRPAOVFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5Si/c1-2-3(4,5)8-9(6)7-2/h2,4-5H,1H3.
What are the key properties of 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol?
5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol has a molecular weight of 150.16 g/mol, XLogP of -1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol is sourced from PubChem (CID 141089914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).