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

C10H16O5 — CID 134416123

IUPAC2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(OC)=C1C
InChIInChI=1S/C10H16O5/c1-6-8(7(13-3)5-12-2)15-10(11)9(6)14-4/h7-8H,5H2,1-4H3
InChIKeyGKEISIKKDNIYQX-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.49
Rot. Bonds5

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

2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one (PubChem CID 134416123) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one
PubChem CID134416123
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(OC)=C1C
InChIInChI=1S/C10H16O5/c1-6-8(7(13-3)5-12-2)15-10(11)9(6)14-4/h7-8H,5H2,1-4H3
InChIKeyGKEISIKKDNIYQX-UHFFFAOYSA-N
XLogP0.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-acetyloxy-2-(3,4-dimethoxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 44292389
[(4S,10E,12aR)-3-acetyloxy-6,10-dimethyl-2-oxo-5,9,12,12a-tetrahydro-4H-cycloundeca[b]furan-4-yl] acetate
CID 163050267
D-(-)-Isoascorbic acid, tetraacetate
CID 91691975
Acetic acid 2-(4-acetoxy-5-oxo-2,5-dihydro-furan-3-yl)-ethyl ester
CID 14105177
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-pentoxy-2H-furan-5-one
CID 15454750
Ascorbic acid, permethyl-
CID 22947141
Epoxy methyl geranoate
CID 129689170
ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate
CID 10870490
ethyl (2Z)-2-[(3Z)-2-methyl-9-oxo-5,6-dihydro-2H-furo[3,4-b]oxocin-7-ylidene]acetate
CID 10956407
ethyl 5-methyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 15178541
Gnuuicijabtudl-uhfffaoysa-
CID 21608333
ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-prop-2-enoxyfuran-2-ylidene)acetate
CID 21609366

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one?
The IUPAC name of 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one (CID 134416123) is 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one is COCC(OC)C1OC(=O)C(OC)=C1C.
What is the InChIKey of 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one?
The InChIKey is GKEISIKKDNIYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-6-8(7(13-3)5-12-2)15-10(11)9(6)14-4/h7-8H,5H2,1-4H3.
What are the key properties of 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one?
2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one has a molecular weight of 216.23 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethoxyethyl)-4-methoxy-3-methyl-2H-furan-5-one is sourced from PubChem (CID 134416123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).