5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione

C10H18O6Si — CID 10220884

IUPAC5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione
SMILESC[Si](C)(C)COC1C(=O)OC(C(O)CO)C1=O
InChIInChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)8(6(12)4-11)16-10(9)14/h6,8-9,11-12H,4-5H2,1-3H3
InChIKeyKFAFDRMTSPURKU-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.90
Rot. Bonds5

About 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione

5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione (PubChem CID 10220884) has the molecular formula C10H18O6Si and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione
PubChem CID10220884
Molecular FormulaC10H18O6Si
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione
SMILESC[Si](C)(C)COC1C(=O)OC(C(O)CO)C1=O
InChIInChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)8(6(12)4-11)16-10(9)14/h6,8-9,11-12H,4-5H2,1-3H3
InChIKeyKFAFDRMTSPURKU-UHFFFAOYSA-N
XLogP-0.90
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

L-xylo-Hex-2-ulono-1,4-lactone
CID 439966
L-xylo-hex-3-ulonolactone
CID 5461125
GlyTouCan:G74844RU
CID 9888239
L-xylo-hex-3-ulono-1,4-lactone
CID 7048614
(5R)-5-(1,2-Dihydroxyethyl)-3-hydroxyoxolane-2,4-dione
CID 4078311
GlyTouCan:G32196CC
CID 5176753
(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolane-2,3-dione
CID 9920509
Ethylhexonate
CID 18534329
2-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxypropanoic acid
CID 21309242
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] acetate
CID 53703167
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] octadecanoate
CID 53733092
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-dione
CID 53759057

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione?
The IUPAC name of 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione (CID 10220884) is 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione is C[Si](C)(C)COC1C(=O)OC(C(O)CO)C1=O.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione?
The InChIKey is KFAFDRMTSPURKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)8(6(12)4-11)16-10(9)14/h6,8-9,11-12H,4-5H2,1-3H3.
What are the key properties of 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione?
5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione has a molecular weight of 262.33 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)-3-(trimethylsilylmethoxy)oxolane-2,4-dione is sourced from PubChem (CID 10220884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).