carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate

C24H32O4 — CID 158426875

IUPACcarbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate
SMILESCCOC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC.O=C=O
InChIInChI=1S/C23H32O2.CO2/c1-7-19(3)15-11-16-20(4)13-9-10-14-21(5)17-12-18-22(6)23(24)25-8-2;2-1-3/h9-18H,7-8H2,1-6H3;/b10-9+,16-11+,17-12+,19-15+,20-13+,21-14+,22-18+;
InChIKeyHBDSXJRUDMAXNR-TZLUUCIZSA-N
MW384.52 g/mol
LogP5.83
Rot. Bonds9

About carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate

carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate (PubChem CID 158426875) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate.

Molecular Properties

Compound Namecarbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate
PubChem CID158426875
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Namecarbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate
SMILESCCOC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC.O=C=O
InChIInChI=1S/C23H32O2.CO2/c1-7-19(3)15-11-16-20(4)13-9-10-14-21(5)17-12-18-22(6)23(24)25-8-2;2-1-3/h9-18H,7-8H2,1-6H3;/b10-9+,16-11+,17-12+,19-15+,20-13+,21-14+,22-18+;
InChIKeyHBDSXJRUDMAXNR-TZLUUCIZSA-N
XLogP5.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.83
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
diethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
CID 73069762
diethyl (2E,4E,6E,8E,10E,12E)-2,4,9,13-tetramethyltetradeca-2,4,6,8,10,12-hexaenedioate
CID 11717423
ethyl (2E,4E,6E,8E,10E,12E)-2,6,11-trimethyl-14-oxotetradeca-2,4,6,8,10,12-hexaenoate
CID 102293193
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
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
disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;[(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]-triphenylphosphanium;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate;hydrobromide
CID 158993846
ethyl (2E,4E)-2-methylhepta-2,4-dien-6-ynoate
CID 11816044
[(2E,4E,6E,8E,10Z)-12-ethoxy-3,7,11-trimethyl-12-oxododeca-2,4,6,8,10-pentaenyl]-triphenylphosphanium
CID 88805250
[(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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate?
The IUPAC name of 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) is carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate.
What is the SMILES notation for carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate?
The canonical SMILES for carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate is CCOC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC.O=C=O.
What is the InChIKey of carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate?
The InChIKey is HBDSXJRUDMAXNR-TZLUUCIZSA-N. The full InChI is InChI=1S/C23H32O2.CO2/c1-7-19(3)15-11-16-20(4)13-9-10-14-21(5)17-12-18-22(6)23(24)25-8-2;2-1-3/h9-18H,7-8H2,1-6H3;/b10-9+,16-11+,17-12+,19-15+,20-13+,21-14+,22-18+;.
What are the key properties of carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate?
carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate has a molecular weight of 384.52 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate is sourced from PubChem (CID 158426875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).