4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one

C10H18O5Si — CID 139947884

IUPAC4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one
SMILESCC(O)C1OC(=O)C(O)=C1OC[Si](C)(C)C
InChIInChI=1S/C10H18O5Si/c1-6(11)8-9(7(12)10(13)15-8)14-5-16(2,3)4/h6,8,11-12H,5H2,1-4H3
InChIKeyVEBGHORAQUWSRH-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.96
Rot. Bonds4

About 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one

4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one (PubChem CID 139947884) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one
PubChem CID139947884
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one
SMILESCC(O)C1OC(=O)C(O)=C1OC[Si](C)(C)C
InChIInChI=1S/C10H18O5Si/c1-6(11)8-9(7(12)10(13)15-8)14-5-16(2,3)4/h6,8,11-12H,5H2,1-4H3
InChIKeyVEBGHORAQUWSRH-UHFFFAOYSA-N
XLogP0.96
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

L-Ascorbic Acid
CID 54670067
Erythorbic Acid
CID 54675810
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
D-Ascorbic acid
CID 54690394
3-O-Ethylascorbic acid
CID 150736
L-isoascorbic acid
CID 54676315
Npc119107
CID 54676536
2-O-Ethyl ascorbic acid
CID 54694369
Methylsilanol ascorbate
CID 71587606
2-(1,2-dihydroxyethyl)-3,4-dimethoxy-2H-furan-5-one
CID 315264
2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one
CID 3614716
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one
CID 6995625

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one?
The IUPAC name of 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one (CID 139947884) is 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one is CC(O)C1OC(=O)C(O)=C1OC[Si](C)(C)C.
What is the InChIKey of 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one?
The InChIKey is VEBGHORAQUWSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-6(11)8-9(7(12)10(13)15-8)14-5-16(2,3)4/h6,8,11-12H,5H2,1-4H3.
What are the key properties of 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one?
4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one has a molecular weight of 246.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one is sourced from PubChem (CID 139947884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).