[(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate

C93H140O15 — CID 158032559

IUPAC[(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\CCC(=O)CCOC=O.CC/C=C\C/C=C\CCC(=O)CCOC=O
InChIInChI=1S/C24H36O3.C21H32O3.C19H28O3.C16H24O3.C13H20O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)21-22-27-23-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)18-19-24-20-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)16-17-22-18-20;1-2-3-4-5-6-7-8-9-10-11-12-16(18)13-14-19-15-17;1-2-3-4-5-6-7-8-9-13(15)10-11-16-12-14/h3-4,6-7,9-10,12-13,15-16,23H,2,5,8,11,14,17-22H2,1H3;3-4,6-7,9-10,12-13,20H,2,5,8,11,14-19H2,1H3;3-4,6-7,9-10,12-13,18H,2,5,8,11,14-17H2,1H3;3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3;3-4,6-7,12H,2,5,8-11H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-;2*4-3-,7-6-,10-9-,13-12-;4-3-,7-6-,10-9-;4-3-,7-6-
InChIKeyFHIWXSWEUZZLDU-AQOXJWBXSA-N
MW1498.13 g/mol
LogP23.19
Rot. Bonds70

About [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate

[(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate (PubChem CID 158032559) has the molecular formula C93H140O15 and a molecular weight of 1498.13 g/mol. Its IUPAC name is [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate.

Molecular Properties

Compound Name[(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate
PubChem CID158032559
Molecular FormulaC93H140O15
Molecular Weight1498.13 g/mol
Exact Mass1497.02
IUPAC Name[(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\CCC(=O)CCOC=O.CC/C=C\C/C=C\CCC(=O)CCOC=O
InChIInChI=1S/C24H36O3.C21H32O3.C19H28O3.C16H24O3.C13H20O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)21-22-27-23-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)18-19-24-20-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)16-17-22-18-20;1-2-3-4-5-6-7-8-9-10-11-12-16(18)13-14-19-15-17;1-2-3-4-5-6-7-8-9-13(15)10-11-16-12-14/h3-4,6-7,9-10,12-13,15-16,23H,2,5,8,11,14,17-22H2,1H3;3-4,6-7,9-10,12-13,20H,2,5,8,11,14-19H2,1H3;3-4,6-7,9-10,12-13,18H,2,5,8,11,14-17H2,1H3;3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3;3-4,6-7,12H,2,5,8-11H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-;2*4-3-,7-6-,10-9-,13-12-;4-3-,7-6-,10-9-;4-3-,7-6-
InChIKeyFHIWXSWEUZZLDU-AQOXJWBXSA-N
XLogP23.19
TPSA216.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds70
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.13
LogP ≤ 523.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate?
The IUPAC name of [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate (CID 158032559) is [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate.
What is the SMILES notation for [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate?
The canonical SMILES for [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)CCOC=O.CC/C=C\C/C=C\C/C=C\CCC(=O)CCOC=O.CC/C=C\C/C=C\CCC(=O)CCOC=O.
What is the InChIKey of [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate?
The InChIKey is FHIWXSWEUZZLDU-AQOXJWBXSA-N. The full InChI is InChI=1S/C24H36O3.C21H32O3.C19H28O3.C16H24O3.C13H20O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)21-22-27-23-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)18-19-24-20-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)16-17-22-18-20;1-2-3-4-5-6-7-8-9-10-11-12-16(18)13-14-19-15-17;1-2-3-4-5-6-7-8-9-13(15)10-11-16-12-14/h3-4,6-7,9-10,12-13,15-16,23H,2,5,8,11,14,17-22H2,1H3;3-4,6-7,9-10,12-13,20H,2,5,8,11,14-19H2,1H3;3-4,6-7,9-10,12-13,18H,2,5,8,11,14-17H2,1H3;3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3;3-4,6-7,12H,2,5,8-11H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-;2*4-3-,7-6-,10-9-,13-12-;4-3-,7-6-,10-9-;4-3-,7-6-.
What are the key properties of [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate?
[(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate has a molecular weight of 1498.13 g/mol, XLogP of 23.19, 70 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate is sourced from PubChem (CID 158032559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).