acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene

C30H47FO3 — CID 145122520

About acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene

acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene (PubChem CID 145122520) has the molecular formula C30H47FO3 and a molecular weight of 474.70 g/mol. Its IUPAC name is acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene.

Molecular Properties

• Compound Name: acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene
• PubChem CID: 145122520
• Molecular Formula: C30H47FO3
• Molecular Weight: 474.70 g/mol
• Exact Mass: 474.35
• IUPAC Name: acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene
• SMILES: C=C(/C=C(/CCCOC)C(=C)OC)C(=C)/C(F)=C/C(=C)C(C)/C=C\C(C)CC.C=CC.CC=O
• InChI: InChI=1S/C25H37FO2.C3H6.C2H4O/c1-10-18(2)13-14-19(3)20(4)17-25(26)22(6)21(5)16-24(23(7)28-9)12-11-15-27-8;1-3-2;1-2-3/h13-14,16-19H,4-7,10-12,15H2,1-3,8-9H3;3H,1H2,2H3;2H,1H3/b14-13-,24-16-,25-17+
• InChIKey: YTANQNJRFBKZJG-YGCBOCPHSA-N
• XLogP: 8.66
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.70
LogP ≤ 5	8.66
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': 'aldehyde', '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 acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene?

The IUPAC name of acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene (CID 145122520) is acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene.

What is the SMILES notation for acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene?

The canonical SMILES for acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene is C=C(/C=C(/CCCOC)C(=C)OC)C(=C)/C(F)=C/C(=C)C(C)/C=C\C(C)CC.C=CC.CC=O.

What is the InChIKey of acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene?

The InChIKey is YTANQNJRFBKZJG-YGCBOCPHSA-N. The full InChI is InChI=1S/C25H37FO2.C3H6.C2H4O/c1-10-18(2)13-14-19(3)20(4)17-25(26)22(6)21(5)16-24(23(7)28-9)12-11-15-27-8;1-3-2;1-2-3/h13-14,16-19H,4-7,10-12,15H2,1-3,8-9H3;3H,1H2,2H3;2H,1H3/b14-13-,24-16-,25-17+;;.

What are the key properties of acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene?

acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene has a molecular weight of 474.70 g/mol, XLogP of 8.66, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;(4Z,8E,12Z)-8-fluoro-1-methoxy-4-(1-methoxyethenyl)-11,14-dimethyl-6,7,10-trimethylidenehexadeca-4,8,12-triene;prop-1-ene is sourced from PubChem (CID 145122520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).