4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one

C20H24O4 — CID 135011369

IUPAC4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one
SMILESC=C1OC(=O)C(C(=O)/C(C)=C/C=C/C(C)=C/C(C)=C/C)=C1OCC
InChIInChI=1S/C20H24O4/c1-7-13(3)12-14(4)10-9-11-15(5)18(21)17-19(23-8-2)16(6)24-20(17)22/h7,9-12H,6,8H2,1-5H3/b10-9+,13-7+,14-12+,15-11+
InChIKeyZTCWMTZFXQYFOR-NJEQZKIWSA-N
MW328.41 g/mol
LogP4.33
Rot. Bonds7

About 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one

4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one (PubChem CID 135011369) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one.

Molecular Properties

Compound Name4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one
PubChem CID135011369
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one
SMILESC=C1OC(=O)C(C(=O)/C(C)=C/C=C/C(C)=C/C(C)=C/C)=C1OCC
InChIInChI=1S/C20H24O4/c1-7-13(3)12-14(4)10-9-11-15(5)18(21)17-19(23-8-2)16(6)24-20(17)22/h7,9-12H,6,8H2,1-5H3/b10-9+,13-7+,14-12+,15-11+
InChIKeyZTCWMTZFXQYFOR-NJEQZKIWSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]-6-oxopyran-3-yl]acetate
CID 73054901
Methyl 2-[2-[2-(3,7-dimethylocta-2,6-dienoxy)-2-oxoethyl]-6-oxopyran-3-yl]acetate
CID 162870635
ethyl (2Z)-2-[acetyloxy(cyclohepta-1,3,5-trien-1-yl)methylidene]-3-oxobutanoate
CID 11243235
diethyl 2-[(5E)-3-ethoxy-2-ethoxycarbonyl-5-ethylidenecyclopenta-1,3-dien-1-yl]propanedioate
CID 10522912
3-[(2E,4E,6E)-4,6-dimethylocta-2,4,6-trienoyl]-4-hydroxy-5-methylidenefuran-2-one
CID 102228051
(5S)-3-acetyl-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one
CID 102352154
4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one
CID 134945589
4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one
CID 135011367
3-[(2E,4E,6E)-4,6-dimethylocta-2,4,6-trienoyl]-4-ethoxy-5-methylidenefuran-2-one
CID 135011993
3-[(2E,4E,6E)-4,6-dimethylocta-2,4,6-trienoyl]-4-methoxy-5-methylidenefuran-2-one
CID 135038864
3-[(E)-But-2-enoyl]-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one
CID 12308691
3-Propanoylpyran-2-one
CID 21993049

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
The IUPAC name of 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one (CID 135011369) is 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one.
What is the SMILES notation for 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
The canonical SMILES for 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one is C=C1OC(=O)C(C(=O)/C(C)=C/C=C/C(C)=C/C(C)=C/C)=C1OCC.
What is the InChIKey of 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
The InChIKey is ZTCWMTZFXQYFOR-NJEQZKIWSA-N. The full InChI is InChI=1S/C20H24O4/c1-7-13(3)12-14(4)10-9-11-15(5)18(21)17-19(23-8-2)16(6)24-20(17)22/h7,9-12H,6,8H2,1-5H3/b10-9+,13-7+,14-12+,15-11+.
What are the key properties of 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one has a molecular weight of 328.41 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one is sourced from PubChem (CID 135011369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).