ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate

C24H36O3 — CID 71098212

IUPACethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate
SMILESCC/C=C\C1(/C=C\C/C=C\CCCCC(OC)C(=O)OCC)C=CCC=C1
InChIInChI=1S/C24H36O3/c1-4-6-18-24(20-15-12-16-21-24)19-14-11-9-7-8-10-13-17-22(26-3)23(25)27-5-2/h6-7,9,14-16,18-22H,4-5,8,10-13,17H2,1-3H3/b9-7-,18-6-,19-14-
InChIKeyTZODMBLXPGHXPS-KLRQMZCJSA-N
MW372.55 g/mol
LogP6.10
Rot. Bonds13

About ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate

ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate (PubChem CID 71098212) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate.

Molecular Properties

Compound Nameethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate
PubChem CID71098212
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Nameethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate
SMILESCC/C=C\C1(/C=C\C/C=C\CCCCC(OC)C(=O)OCC)C=CCC=C1
InChIInChI=1S/C24H36O3/c1-4-6-18-24(20-15-12-16-21-24)19-14-11-9-7-8-10-13-17-22(26-3)23(25)27-5-2/h6-7,9,14-16,18-22H,4-5,8,10-13,17H2,1-3H3/b9-7-,18-6-,19-14-
InChIKeyTZODMBLXPGHXPS-KLRQMZCJSA-N
XLogP6.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methoxyoctadeca-9,12,15-trienoate
CID 72538133
ethyl (11Z,14Z,17Z)-2-ethoxyicosa-11,14,17-trienoate
CID 59187783
ethyl (9Z,12Z,15Z)-2-propoxyoctadeca-9,12,15-trienoate
CID 59187789
2-methoxyicosa-11,14,17-trienoic acid
CID 123931723
ethyl 2-ethyldocosa-7,10,13,16,19-pentaenoate
CID 72538130
ethyl (4E,7Z)-2-methoxy-8-(3-methylspiro[5.5]undeca-1,4,7,10-tetraen-3-yl)octa-4,7-dienoate
CID 70918892
ethyl 2-methylicosa-11,14,17-trienoate
CID 72538095
ethyl (9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoate
CID 59187765
ethyl 2-methyloctadeca-9,12,15-trienoate
CID 72538146
ethyl (7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-7,10,13,16,19-pentaenoate
CID 59187788
(Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol
CID 71098290
ethyl 2-(2-sulfanylideneethyl)docosa-7,10,13,16,19-pentaenoate
CID 91190100

Frequently Asked Questions

What is the IUPAC name of ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate?
The IUPAC name of ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate (CID 71098212) is ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate.
What is the SMILES notation for ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate?
The canonical SMILES for ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate is CC/C=C\C1(/C=C\C/C=C\CCCCC(OC)C(=O)OCC)C=CCC=C1.
What is the InChIKey of ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate?
The InChIKey is TZODMBLXPGHXPS-KLRQMZCJSA-N. The full InChI is InChI=1S/C24H36O3/c1-4-6-18-24(20-15-12-16-21-24)19-14-11-9-7-8-10-13-17-22(26-3)23(25)27-5-2/h6-7,9,14-16,18-22H,4-5,8,10-13,17H2,1-3H3/b9-7-,18-6-,19-14-.
What are the key properties of ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate?
ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate has a molecular weight of 372.55 g/mol, XLogP of 6.10, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7Z,10Z)-11-[1-[(Z)-but-1-enyl]cyclohexa-2,5-dien-1-yl]-2-methoxyundeca-7,10-dienoate is sourced from PubChem (CID 71098212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).