3,4-diethoxy-3H-furan-2-one

C8H12O4 — CID 150170529

IUPAC3,4-diethoxy-3H-furan-2-one
SMILESCCOC1=COC(=O)C1OCC
InChIInChI=1S/C8H12O4/c1-3-10-6-5-12-8(9)7(6)11-4-2/h5,7H,3-4H2,1-2H3
InChIKeyFJINQAXFAJJPAS-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.83
Rot. Bonds4

About 3,4-diethoxy-3H-furan-2-one

3,4-diethoxy-3H-furan-2-one (PubChem CID 150170529) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3,4-diethoxy-3H-furan-2-one.

Molecular Properties

Compound Name3,4-diethoxy-3H-furan-2-one
PubChem CID150170529
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name3,4-diethoxy-3H-furan-2-one
SMILESCCOC1=COC(=O)C1OCC
InChIInChI=1S/C8H12O4/c1-3-10-6-5-12-8(9)7(6)11-4-2/h5,7H,3-4H2,1-2H3
InChIKeyFJINQAXFAJJPAS-UHFFFAOYSA-N
XLogP0.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethoxyfuranone
CID 67359996
Isopropoxyfuranone
CID 129745453
ethyl (4S)-2,2-dimethyl-5-(oxomethylidene)-1,3-dioxolane-4-carboxylate
CID 135038220
lithium (E)-methoxy-[(5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-ylidene]methanolate
CID 155932139
Methyl 2,3-dimethoxy-3-butenoate
CID 522784
3,4-dimethoxy-3H-furan-2-one
CID 69251160
(6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
CID 69405528
(6aS)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
CID 118596448
(2-Methoxy-2-oxoethyl) 5-oxo-2-(3-oxopropa-1,2-dienoxy)penta-3,4-dienoate
CID 140362214
(2-oxo-3H-furan-3-yl) acetate
CID 140721877
3-Ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate
CID 141204803
3-(1,4-Diethoxy-1-oxobut-3-en-2-yl)oxypropanoic acid
CID 142630880

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-3H-furan-2-one?
The IUPAC name of 3,4-diethoxy-3H-furan-2-one (CID 150170529) is 3,4-diethoxy-3H-furan-2-one.
What is the SMILES notation for 3,4-diethoxy-3H-furan-2-one?
The canonical SMILES for 3,4-diethoxy-3H-furan-2-one is CCOC1=COC(=O)C1OCC.
What is the InChIKey of 3,4-diethoxy-3H-furan-2-one?
The InChIKey is FJINQAXFAJJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-10-6-5-12-8(9)7(6)11-4-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 3,4-diethoxy-3H-furan-2-one?
3,4-diethoxy-3H-furan-2-one has a molecular weight of 172.18 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-3H-furan-2-one is sourced from PubChem (CID 150170529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).