(2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal

C41H58O2 — CID 87442183

About (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal

(2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal (PubChem CID 87442183) has the molecular formula C41H58O2 and a molecular weight of 582.91 g/mol. Its IUPAC name is (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal.

Molecular Properties

• Compound Name: (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal
• PubChem CID: 87442183
• Molecular Formula: C41H58O2
• Molecular Weight: 582.91 g/mol
• Exact Mass: 582.44
• IUPAC Name: (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal
• SMILES: COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C41H58O2/c1-34(2)19-13-21-36(4)23-15-25-37(5)24-14-22-35(3)20-11-12-30-40(33-42)31-17-28-38(6)26-16-27-39(7)29-18-32-41(8,9)43-10/h11-12,14-17,19-20,22-28,30-31,33H,13,18,21,29,32H2,1-10H3/b12-11+,22-14+,25-15+,26-16+,31-17+,35-20+,36-23+,37-24+,38-28+,39-27+,40-30-
• InChIKey: ISLLQJLZNPHQIS-LBBYXZEISA-N
• XLogP: 11.97
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.91
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal?

The IUPAC name of (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal (CID 87442183) is (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal.

What is the SMILES notation for (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal?

The canonical SMILES for (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal is COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C.

What is the InChIKey of (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal?

The InChIKey is ISLLQJLZNPHQIS-LBBYXZEISA-N. The full InChI is InChI=1S/C41H58O2/c1-34(2)19-13-21-36(4)23-15-25-37(5)24-14-22-35(3)20-11-12-30-40(33-42)31-17-28-38(6)26-16-27-39(7)29-18-32-41(8,9)43-10/h11-12,14-17,19-20,22-28,30-31,33H,13,18,21,29,32H2,1-10H3/b12-11+,22-14+,25-15+,26-16+,31-17+,35-20+,36-23+,37-24+,38-28+,39-27+,40-30-.

What are the key properties of (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal?

(2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal has a molecular weight of 582.91 g/mol, XLogP of 11.97, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4E,6E,8E,10E,12E,14E)-2-[(1E,3E,5E,7E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7-tetraenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,18-octaenal is sourced from PubChem (CID 87442183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).