furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

C25H36O3 — CID 10200054

IUPACfuran-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1ccoc1
InChIInChI=1S/C25H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-23-24-20-21-27-22-24/h6-7,9-10,12-13,15-16,20-22H,2-5,8,11,14,17-19,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyLUQCLMHCNLBLSQ-DOFZRALJSA-N
MW384.56 g/mol
LogP7.47
Rot. Bonds16

About furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (PubChem CID 10200054) has the molecular formula C25H36O3 and a molecular weight of 384.56 g/mol. Its IUPAC name is furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Namefuran-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
PubChem CID10200054
Molecular FormulaC25H36O3
Molecular Weight384.56 g/mol
Exact Mass384.27
IUPAC Namefuran-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1ccoc1
InChIInChI=1S/C25H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-23-24-20-21-27-22-24/h6-7,9-10,12-13,15-16,20-22H,2-5,8,11,14,17-19,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyLUQCLMHCNLBLSQ-DOFZRALJSA-N
XLogP7.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 57.47
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 furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The IUPAC name of furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (CID 10200054) is furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.
What is the SMILES notation for furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The canonical SMILES for furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1ccoc1.
What is the InChIKey of furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The InChIKey is LUQCLMHCNLBLSQ-DOFZRALJSA-N. The full InChI is InChI=1S/C25H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-23-24-20-21-27-22-24/h6-7,9-10,12-13,15-16,20-22H,2-5,8,11,14,17-19,23H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate has a molecular weight of 384.56 g/mol, XLogP of 7.47, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 10200054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).