(2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid

C18H32O4 — CID 134781459

IUPAC(2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid
SMILESCCCCCCCCCCCCC/C=C/C(O)=C(/O)C(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h14-15,19-20H,2-13H2,1H3,(H,21,22)/b15-14+,17-16-
InChIKeyYJNRBSIIJBOEIF-FZIQOSRTSA-N
MW312.45 g/mol
LogP5.66
Rot. Bonds14

About (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid

(2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid (PubChem CID 134781459) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid
PubChem CID134781459
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid
SMILESCCCCCCCCCCCCC/C=C/C(O)=C(/O)C(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h14-15,19-20H,2-13H2,1H3,(H,21,22)/b15-14+,17-16-
InChIKeyYJNRBSIIJBOEIF-FZIQOSRTSA-N
XLogP5.66
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid 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

2-oxododec-3-enoic acid
CID 150255849
pentadeca-1,3-diene-1,1,2-triol
CID 139766609
undec-2-enoic acid
CID 519180
icosa-2,11-dienoic acid
CID 54537818
bis(heptadec-2-enoic acid);zinc
CID 172555643
(Z)-non-2-enamide
CID 97047009
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
copper;heptadec-2-enoic acid
CID 174878538
(Z)-oct-2-enoic acid
CID 5282713
(E)-2-methylidenehexadec-3-enoic acid
CID 87166223

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid (CID 134781459) is (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid is CCCCCCCCCCCCC/C=C/C(O)=C(/O)C(=O)O.
What is the InChIKey of (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid?
The InChIKey is YJNRBSIIJBOEIF-FZIQOSRTSA-N. The full InChI is InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h14-15,19-20H,2-13H2,1H3,(H,21,22)/b15-14+,17-16-.
What are the key properties of (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid?
(2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid has a molecular weight of 312.45 g/mol, XLogP of 5.66, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,3-dihydroxyoctadeca-2,4-dienoic acid is sourced from PubChem (CID 134781459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).