2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane

C23H42O5 — CID 145368357

About 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane

2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane (PubChem CID 145368357) has the molecular formula C23H42O5 and a molecular weight of 398.58 g/mol. Its IUPAC name is 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane.

Molecular Properties

• Compound Name: 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane
• PubChem CID: 145368357
• Molecular Formula: C23H42O5
• Molecular Weight: 398.58 g/mol
• Exact Mass: 398.30
• IUPAC Name: 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane
• SMILES: CCC(OC)C(C)CCCC/C=C/C=C(\C)C1OC(OC)C(OC)CC1OC
• InChI: InChI=1S/C23H42O5/c1-8-19(24-4)17(2)14-12-10-9-11-13-15-18(3)22-20(25-5)16-21(26-6)23(27-7)28-22/h11,13,15,17,19-23H,8-10,12,14,16H2,1-7H3/b13-11+,18-15+
• InChIKey: XWUWOZACUGDXIW-COWYBJPUSA-N
• XLogP: 4.90
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.58
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane?

The IUPAC name of 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane (CID 145368357) is 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane.

What is the SMILES notation for 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane?

The canonical SMILES for 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane is CCC(OC)C(C)CCCC/C=C/C=C(\C)C1OC(OC)C(OC)CC1OC.

What is the InChIKey of 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane?

The InChIKey is XWUWOZACUGDXIW-COWYBJPUSA-N. The full InChI is InChI=1S/C23H42O5/c1-8-19(24-4)17(2)14-12-10-9-11-13-15-18(3)22-20(25-5)16-21(26-6)23(27-7)28-22/h11,13,15,17,19-23H,8-10,12,14,16H2,1-7H3/b13-11+,18-15+.

What are the key properties of 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane?

2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane has a molecular weight of 398.58 g/mol, XLogP of 4.90, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5-trimethoxy-6-[(2E,4E)-11-methoxy-10-methyltrideca-2,4-dien-2-yl]oxane is sourced from PubChem (CID 145368357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).