diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

C24H32O4 — CID 59805033

About diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate (PubChem CID 59805033) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate.

Molecular Properties

• Compound Name: diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
• PubChem CID: 59805033
• Molecular Formula: C24H32O4
• Molecular Weight: 384.52 g/mol
• Exact Mass: 384.23
• IUPAC Name: diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
• SMILES: CCOC(=O)/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)OCC
• InChI: InChI=1S/C24H32O4/c1-7-27-23(25)21(5)17-11-15-19(3)13-9-10-14-20(4)16-12-18-22(6)24(26)28-8-2/h9-18H,7-8H2,1-6H3/b10-9+,15-11+,16-12+,19-13+,20-14+,21-17-,22-18+
• InChIKey: ICLASYLYHJLVTR-DYKGOCOISA-N
• XLogP: 5.57
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.52
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?

The IUPAC name of diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate (CID 59805033) is diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate.

What is the SMILES notation for diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?

The canonical SMILES for diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate is CCOC(=O)/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)OCC.

What is the InChIKey of diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?

The InChIKey is ICLASYLYHJLVTR-DYKGOCOISA-N. The full InChI is InChI=1S/C24H32O4/c1-7-27-23(25)21(5)17-11-15-19(3)13-9-10-14-20(4)16-12-18-22(6)24(26)28-8-2/h9-18H,7-8H2,1-6H3/b10-9+,15-11+,16-12+,19-13+,20-14+,21-17-,22-18+.

What are the key properties of diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?

diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate has a molecular weight of 384.52 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate is sourced from PubChem (CID 59805033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).