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

C19H22O4 — CID 135011367

IUPAC4-methoxy-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)=C1OC
InChIInChI=1S/C19H22O4/c1-7-12(2)11-13(3)9-8-10-14(4)17(20)16-18(22-6)15(5)23-19(16)21/h7-11H,5H2,1-4,6H3/b9-8+,12-7+,13-11+,14-10+
InChIKeyPQNHWLSOWCLFSN-VTCWLERASA-N
MW314.38 g/mol
LogP3.94
Rot. Bonds6

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

4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one (PubChem CID 135011367) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one.

Molecular Properties

Compound Name4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one
PubChem CID135011367
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-methoxy-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)=C1OC
InChIInChI=1S/C19H22O4/c1-7-12(2)11-13(3)9-8-10-14(4)17(20)16-18(22-6)15(5)23-19(16)21/h7-11H,5H2,1-4,6H3/b9-8+,12-7+,13-11+,14-10+
InChIKeyPQNHWLSOWCLFSN-VTCWLERASA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.94
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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Launch Full Analysis

Related Compounds

ethyl (2Z)-2-[acetyloxy(cyclohepta-1,3,5-trien-1-yl)methylidene]-3-oxobutanoate
CID 11243235
3-Propionylcycloheptafuran-2-one
CID 22634769
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
methyl 2,4-dimethyl-3-oxo-5-[(E)-pent-2-en-2-yl]furan-2-carboxylate
CID 132487777
4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one
CID 134945589
4-ethoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one
CID 135011369
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
fluoro (4E,6Z)-4-[(E)-1-methoxyprop-1-enyl]-3-oxoocta-4,6-dienoate
CID 144663607
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-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
The IUPAC name of 4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one (CID 135011367) is 4-methoxy-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-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
The canonical SMILES for 4-methoxy-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)=C1OC.
What is the InChIKey of 4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
The InChIKey is PQNHWLSOWCLFSN-VTCWLERASA-N. The full InChI is InChI=1S/C19H22O4/c1-7-12(2)11-13(3)9-8-10-14(4)17(20)16-18(22-6)15(5)23-19(16)21/h7-11H,5H2,1-4,6H3/b9-8+,12-7+,13-11+,14-10+.
What are the key properties of 4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one?
4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one has a molecular weight of 314.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methylidene-3-[(2E,4E,6E,8E)-2,6,8-trimethyldeca-2,4,6,8-tetraenoyl]furan-2-one is sourced from PubChem (CID 135011367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).