4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one

C24H34O4 — CID 134945589

About 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one

4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one (PubChem CID 134945589) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one.

Molecular Properties

• Compound Name: 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one
• PubChem CID: 134945589
• Molecular Formula: C24H34O4
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.25
• IUPAC Name: 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one
• SMILES: C=C1OC(=O)C(C(=O)/C(C)=C/[C@H](C)C[C@H](C)CCC/C=C/C(C)=CC)=C1OC
• InChI: InChI=1S/C24H34O4/c1-8-16(2)12-10-9-11-13-17(3)14-18(4)15-19(5)22(25)21-23(27-7)20(6)28-24(21)26/h8,10,12,15,17-18H,6,9,11,13-14H2,1-5,7H3/b12-10+,16-8?,19-15+/t17-,18-/m1/s1
• InChIKey: JGUCFRHPJDXZRE-JCKVEELRSA-N
• XLogP: 5.83
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one?

The IUPAC name of 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one (CID 134945589) is 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one.

What is the SMILES notation for 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one?

The canonical SMILES for 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one is C=C1OC(=O)C(C(=O)/C(C)=C/[C@H](C)C[C@H](C)CCC/C=C/C(C)=CC)=C1OC.

What is the InChIKey of 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one?

The InChIKey is JGUCFRHPJDXZRE-JCKVEELRSA-N. The full InChI is InChI=1S/C24H34O4/c1-8-16(2)12-10-9-11-13-17(3)14-18(4)15-19(5)22(25)21-23(27-7)20(6)28-24(21)26/h8,10,12,15,17-18H,6,9,11,13-14H2,1-5,7H3/b12-10+,16-8?,19-15+/t17-,18-/m1/s1.

What are the key properties of 4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one?

4-methoxy-5-methylidene-3-[(2E,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one has a molecular weight of 386.53 g/mol, XLogP of 5.83, 11 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,4R,6R,10E)-2,4,6,12-tetramethyltetradeca-2,10,12-trienoyl]furan-2-one is sourced from PubChem (CID 134945589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).