(4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene

C26H40O2 — CID 145121952

About (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene

(4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene (PubChem CID 145121952) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene.

Molecular Properties

• Compound Name: (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene
• PubChem CID: 145121952
• Molecular Formula: C26H40O2
• Molecular Weight: 384.60 g/mol
• Exact Mass: 384.30
• IUPAC Name: (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene
• SMILES: C=C(/C=C(/C)C(=C)C(C)/C=C\C(C)CC)C(=C)/C=C(/CCCOC)C(=C)OC
• InChI: InChI=1S/C26H40O2/c1-11-19(2)14-15-20(3)24(7)23(6)17-21(4)22(5)18-26(25(8)28-10)13-12-16-27-9/h14-15,17-20H,4-5,7-8,11-13,16H2,1-3,6,9-10H3/b15-14-,23-17-,26-18-
• InChIKey: UYNVZAFERIIDGP-WHXDIPPKSA-N
• XLogP: 7.35
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.60
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene?

The IUPAC name of (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene (CID 145121952) is (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene.

What is the SMILES notation for (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene?

The canonical SMILES for (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene is C=C(/C=C(/C)C(=C)C(C)/C=C\C(C)CC)C(=C)/C=C(/CCCOC)C(=C)OC.

What is the InChIKey of (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene?

The InChIKey is UYNVZAFERIIDGP-WHXDIPPKSA-N. The full InChI is InChI=1S/C26H40O2/c1-11-19(2)14-15-20(3)24(7)23(6)17-21(4)22(5)18-26(25(8)28-10)13-12-16-27-9/h14-15,17-20H,4-5,7-8,11-13,16H2,1-3,6,9-10H3/b15-14-,23-17-,26-18-.

What are the key properties of (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene?

(4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene has a molecular weight of 384.60 g/mol, XLogP of 7.35, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,8Z,12Z)-1-methoxy-4-(1-methoxyethenyl)-9,11,14-trimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene is sourced from PubChem (CID 145121952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).