(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one

C8H9IO3 — CID 102166722

IUPAC(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one
SMILESCCOC1=C(C)C(=O)O/C1=C\I
InChIInChI=1S/C8H9IO3/c1-3-11-7-5(2)8(10)12-6(7)4-9/h4H,3H2,1-2H3/b6-4-
InChIKeyHVTLKZWGYRCZEM-XQRVVYSFSA-N
MW280.06 g/mol
LogP2.13
Rot. Bonds2

About (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one

(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one (PubChem CID 102166722) has the molecular formula C8H9IO3 and a molecular weight of 280.06 g/mol. Its IUPAC name is (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one.

Molecular Properties

Compound Name(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one
PubChem CID102166722
Molecular FormulaC8H9IO3
Molecular Weight280.06 g/mol
Exact Mass279.96
IUPAC Name(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one
SMILESCCOC1=C(C)C(=O)O/C1=C\I
InChIInChI=1S/C8H9IO3/c1-3-11-7-5(2)8(10)12-6(7)4-9/h4H,3H2,1-2H3/b6-4-
InChIKeyHVTLKZWGYRCZEM-XQRVVYSFSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Sudiupjztjljro-utcjrwhesa-
CID 10606975
tert-butyl (2Z)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10610942
methyl (2Z)-2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10631804
tert-butyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10729602
ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10846851
3-methoxy-4-methyl-2H-furan-5-one
CID 11815368
(2E)-2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)propanal
CID 144740933
3,6-dimethyl-2H-furo[3,2-b]furan-5-one
CID 145331546
4-Ethoxy-3-methyl-5-methylidenefuran-2-one
CID 10606974
methyl (2E)-2-(4-iodo-3-methoxy-5-oxofuran-2-ylidene)propanoate
CID 42625771
methyl (2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propanoate
CID 42625853
Methyl 2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 85213113

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one?
The IUPAC name of (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one (CID 102166722) is (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one.
What is the SMILES notation for (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one?
The canonical SMILES for (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one is CCOC1=C(C)C(=O)O/C1=C\I.
What is the InChIKey of (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one?
The InChIKey is HVTLKZWGYRCZEM-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H9IO3/c1-3-11-7-5(2)8(10)12-6(7)4-9/h4H,3H2,1-2H3/b6-4-.
What are the key properties of (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one?
(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one has a molecular weight of 280.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one is sourced from PubChem (CID 102166722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).