(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

C23H36O3 — CID 145122369

About (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (PubChem CID 145122369) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.

Molecular Properties

• Compound Name: (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
• PubChem CID: 145122369
• Molecular Formula: C23H36O3
• Molecular Weight: 360.54 g/mol
• Exact Mass: 360.27
• IUPAC Name: (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
• SMILES: C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(\OCCOC)C(=C)OC
• InChI: InChI=1S/C23H36O3/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(22(7)25-9)26-15-14-24-8/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3/b13-12-,23-16+
• InChIKey: RAJWSJMQBOGSOU-KAHMWRCASA-N
• XLogP: 5.99
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.54
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?

The IUPAC name of (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (CID 145122369) is (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.

What is the SMILES notation for (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?

The canonical SMILES for (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(\OCCOC)C(=C)OC.

What is the InChIKey of (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?

The InChIKey is RAJWSJMQBOGSOU-KAHMWRCASA-N. The full InChI is InChI=1S/C23H36O3/c1-17(2)10-11-18(3)19(4)12-13-20(5)21(6)16-23(22(7)25-9)26-15-14-24-8/h12-13,16-18H,4-7,10-11,14-15H2,1-3,8-9H3/b13-12-,23-16+.

What are the key properties of (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?

(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene has a molecular weight of 360.54 g/mol, XLogP of 5.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is sourced from PubChem (CID 145122369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).