diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

C24H32O4 — CID 73069762

IUPACdiethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
SMILESCCOC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OCC
InChIInChI=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
InChIKeyICLASYLYHJLVTR-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.57
Rot. Bonds10

About diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate (PubChem CID 73069762) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate.

Molecular Properties

Compound Namediethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
PubChem CID73069762
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Namediethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
SMILESCCOC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OCC
InChIInChI=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
InChIKeyICLASYLYHJLVTR-UHFFFAOYSA-N
XLogP5.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl (2E,4E,6E,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
CID 59805033
ethyl (2E,4E,6E,8E,10E,12E)-2,6,11-trimethyl-14-oxotetradeca-2,4,6,8,10,12-hexaenoate
CID 102293193
diethyl (2E,4E,6E,8E,10E,12E)-2,4,9,13-tetramethyltetradeca-2,4,6,8,10,12-hexaenedioate
CID 11717423
diethyl 2,6,11,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate
CID 123615733
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate
CID 158426875
ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11-trimethyl-15-(4-methyl-1,3-dioxetan-2-yl)hexadeca-2,4,6,8,10,12,14-heptaenoate
CID 87414768
[(2E,4E,6E,8E,10Z)-12-ethoxy-3,7,11-trimethyl-12-oxododeca-2,4,6,8,10-pentaenyl]-triphenylphosphanium
CID 88805250
ethyl (2E,4E)-2-methylhepta-2,4-dien-6-ynoate
CID 11816044
[(2E,4E,6Z)-8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium
CID 22129223
ethyl (2E,4E)-2,7-dimethylocta-2,4-dienoate
CID 88840952
(2E,4E,6Z,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
CID 19609195

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?
The IUPAC name of diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate (CID 73069762) is diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate.
What is the SMILES notation for diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?
The canonical SMILES for diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate is CCOC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OCC.
What is the InChIKey of diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?
The InChIKey is ICLASYLYHJLVTR-UHFFFAOYSA-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.
What are the key properties of diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate?
diethyl 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 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate is sourced from PubChem (CID 73069762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).