(5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one

C11H16O4 — CID 102286467

IUPAC(5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one
SMILESCCOC(/C=C1\OC(=O)C=C1C)OCC
InChIInChI=1S/C11H16O4/c1-4-13-11(14-5-2)7-9-8(3)6-10(12)15-9/h6-7,11H,4-5H2,1-3H3/b9-7-
InChIKeyRAOCAYVYOYNEKG-CLFYSBASSA-N
MW212.24 g/mol
LogP1.77
Rot. Bonds5

About (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one

(5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one (PubChem CID 102286467) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one
PubChem CID102286467
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one
SMILESCCOC(/C=C1\OC(=O)C=C1C)OCC
InChIInChI=1S/C11H16O4/c1-4-13-11(14-5-2)7-9-8(3)6-10(12)15-9/h6-7,11H,4-5H2,1-3H3/b9-7-
InChIKeyRAOCAYVYOYNEKG-CLFYSBASSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Aspergilsmin D
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Aspergilsmin E
CID 156581970
(2e,4e)-Ethyl 3-ethoxy-6-methylhepta-2,4,6-trienoate
CID 12045875
(S)-Patulin Methyl Ether
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ethyl (2Z,4E)-2-fluoro-6,6-dimethoxy-4-methylhexa-2,4-dienoate
CID 20508486
Ethyl 2-fluoro-6,6-dimethoxy-4-methylhexa-2,4-dienoate
CID 54120246
ethyl (2E,4E,6E)-8,8-diacetyloxy-2,6-dimethylocta-2,4,6-trienoate
CID 13321906
Methyl 3-(5-methoxy-2,5-dihydro-2-furylidene)propionate
CID 23266343

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one?
The IUPAC name of (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one (CID 102286467) is (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one.
What is the SMILES notation for (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one?
The canonical SMILES for (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one is CCOC(/C=C1\OC(=O)C=C1C)OCC.
What is the InChIKey of (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one?
The InChIKey is RAOCAYVYOYNEKG-CLFYSBASSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-13-11(14-5-2)7-9-8(3)6-10(12)15-9/h6-7,11H,4-5H2,1-3H3/b9-7-.
What are the key properties of (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one?
(5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one has a molecular weight of 212.24 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,2-diethoxyethylidene)-4-methylfuran-2-one is sourced from PubChem (CID 102286467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).