[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate

C62H100O2 — CID 24837329

IUPAC[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
SMILESCC(C)=CCC/C(C)=C\CCC(=O)OC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C62H100O2/c1-50(2)26-15-28-52(5)30-17-31-54(7)32-18-33-55(8)34-19-35-56(9)36-20-37-57(10)38-21-39-58(11)40-22-41-59(12)42-23-43-60(13)44-24-45-61(14)48-49-64-62(63)47-25-46-53(6)29-16-27-51(3)4/h26-27,30,32,34,36,38,40,42,44,46,48H,15-25,28-29,31,33,35,37,39,41,43,45,47,49H2,1-14H3/b52-30+,53-46-,54-32-,55-34+,56-36+,57-38-,58-40-,59-42+,60-44-,61-48+
InChIKeyRSASHPJWQNBHFW-ZWUVVZCOSA-N
MW877.48 g/mol
LogP20.51
Rot. Bonds35

About [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate

[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate (PubChem CID 24837329) has the molecular formula C62H100O2 and a molecular weight of 877.48 g/mol. Its IUPAC name is [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate.

Molecular Properties

Compound Name[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
PubChem CID24837329
Molecular FormulaC62H100O2
Molecular Weight877.48 g/mol
Exact Mass876.77
IUPAC Name[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
SMILESCC(C)=CCC/C(C)=C\CCC(=O)OC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C62H100O2/c1-50(2)26-15-28-52(5)30-17-31-54(7)32-18-33-55(8)34-19-35-56(9)36-20-37-57(10)38-21-39-58(11)40-22-41-59(12)42-23-43-60(13)44-24-45-61(14)48-49-64-62(63)47-25-46-53(6)29-16-27-51(3)4/h26-27,30,32,34,36,38,40,42,44,46,48H,15-25,28-29,31,33,35,37,39,41,43,45,47,49H2,1-14H3/b52-30+,53-46-,54-32-,55-34+,56-36+,57-38-,58-40-,59-42+,60-44-,61-48+
InChIKeyRSASHPJWQNBHFW-ZWUVVZCOSA-N
XLogP20.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.48
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate with MolForge

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Related Compounds

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ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
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Frequently Asked Questions

What is the IUPAC name of [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate?
The IUPAC name of [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate (CID 24837329) is [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate.
What is the SMILES notation for [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate?
The canonical SMILES for [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate is CC(C)=CCC/C(C)=C\CCC(=O)OC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate?
The InChIKey is RSASHPJWQNBHFW-ZWUVVZCOSA-N. The full InChI is InChI=1S/C62H100O2/c1-50(2)26-15-28-52(5)30-17-31-54(7)32-18-33-55(8)34-19-35-56(9)36-20-37-57(10)38-21-39-58(11)40-22-41-59(12)42-23-43-60(13)44-24-45-61(14)48-49-64-62(63)47-25-46-53(6)29-16-27-51(3)4/h26-27,30,32,34,36,38,40,42,44,46,48H,15-25,28-29,31,33,35,37,39,41,43,45,47,49H2,1-14H3/b52-30+,53-46-,54-32-,55-34+,56-36+,57-38-,58-40-,59-42+,60-44-,61-48+.
What are the key properties of [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate?
[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate has a molecular weight of 877.48 g/mol, XLogP of 20.51, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 24837329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).