2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one

C10H16O6 — CID 22947141

IUPAC2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(OC)=C1OC
InChIInChI=1S/C10H16O6/c1-12-5-6(13-2)7-8(14-3)9(15-4)10(11)16-7/h6-7H,5H2,1-4H3
InChIKeyHBATWAXRRCTVJU-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.08
Rot. Bonds6

About 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one

2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one (PubChem CID 22947141) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one
PubChem CID22947141
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(OC)=C1OC
InChIInChI=1S/C10H16O6/c1-12-5-6(13-2)7-8(14-3)9(15-4)10(11)16-7/h6-7H,5H2,1-4H3
InChIKeyHBATWAXRRCTVJU-UHFFFAOYSA-N
XLogP0.08
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-O-Ethylascorbic acid
CID 150736
2-O-Ethyl ascorbic acid
CID 54694369
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
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one
CID 5249145
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one
CID 6995625
L-Ascorbic acid, 2,3-di-O-methyl-5,6-O-(1-methylethylidene)-
CID 10977677
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
CID 11805516
2-(1,2-dihydroxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one
CID 22105235
[2-acetyloxy-2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 54687316
2-O-Methylascorbic acid
CID 54726398
2,3-Bis-O-(2,3-dihydroxypropyl)-L-ascorbic acid
CID 67266658

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one?
The IUPAC name of 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one (CID 22947141) is 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one is COCC(OC)C1OC(=O)C(OC)=C1OC.
What is the InChIKey of 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one?
The InChIKey is HBATWAXRRCTVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-12-5-6(13-2)7-8(14-3)9(15-4)10(11)16-7/h6-7H,5H2,1-4H3.
What are the key properties of 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one?
2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one has a molecular weight of 232.23 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethoxyethyl)-3,4-dimethoxy-2H-furan-5-one is sourced from PubChem (CID 22947141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).