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

C10H18O6Si — CID 15511275

IUPAC2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)COC1=C(O)C(=O)OC1C(O)CO
InChIInChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)10(14)16-8(9)6(12)4-11/h6,8,11-13H,4-5H2,1-3H3
InChIKeyQESNGMPRWFVKJI-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.07
Rot. Bonds5

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

2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one (PubChem CID 15511275) has the molecular formula C10H18O6Si and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one
PubChem CID15511275
Molecular FormulaC10H18O6Si
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)COC1=C(O)C(=O)OC1C(O)CO
InChIInChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)10(14)16-8(9)6(12)4-11/h6,8,11-13H,4-5H2,1-3H3
InChIKeyQESNGMPRWFVKJI-UHFFFAOYSA-N
XLogP-0.07
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
Ascorbate
CID 54679076
Calcium ascorbate dihydrate
CID 54682536
D-Ascorbic acid
CID 54690394
Calcium L-ascorbate dihydrate
CID 16211195
3-O-Ethylascorbic acid
CID 150736
calcium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-2H-furan-3,4-diolate;dihydrate
CID 131674986
L-isoascorbic acid
CID 54676315
Npc119107
CID 54676536
Sodium erythorbate monohydrate
CID 23696296

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one (CID 15511275) is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one is C[Si](C)(C)COC1=C(O)C(=O)OC1C(O)CO.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one?
The InChIKey is QESNGMPRWFVKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)10(14)16-8(9)6(12)4-11/h6,8,11-13H,4-5H2,1-3H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one has a molecular weight of 262.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(trimethylsilylmethoxy)-2H-furan-5-one is sourced from PubChem (CID 15511275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).