(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid

C18H26O4 — CID 87404974

IUPAC(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
SMILESO=C(O)/C=C/C=C/C=C/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C18H26O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16H2,(H,19,20)(H,21,22)/b3-1+,7-5+,11-9+,15-13+
InChIKeyHNAZKYQYIXEEAS-IJGJQPSKSA-N
MW306.40 g/mol
LogP4.50
Rot. Bonds13

About (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid

(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid (PubChem CID 87404974) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid.

Molecular Properties

Compound Name(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
PubChem CID87404974
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
SMILESO=C(O)/C=C/C=C/C=C/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C18H26O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16H2,(H,19,20)(H,21,22)/b3-1+,7-5+,11-9+,15-13+
InChIKeyHNAZKYQYIXEEAS-IJGJQPSKSA-N
XLogP4.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic 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

nonadeca-2,4,6-trienedioic acid
CID 123861344
(2E,4E,6E)-heptadeca-2,4,6-trienedioic acid
CID 87404781
tetradeca-2,4,6-trienedioic acid
CID 123267309
(2E,4E)-nonadeca-2,4-dienedioic acid
CID 87405159
(2E,4E)-undeca-2,4-dienedioic acid
CID 87404972
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(Z)-tetracos-15-enoic acid
CID 118104873
(Z)-undec-2-enedioic acid
CID 59435158
docosa-2,4,6,8,10-pentaenoic acid;(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
CID 87118761
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
20-oxoicosa-2,4,6,8-tetraenoic acid
CID 54530292
(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid?
The IUPAC name of (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid (CID 87404974) is (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid.
What is the SMILES notation for (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid?
The canonical SMILES for (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid is O=C(O)/C=C/C=C/C=C/C=C/CCCCCCCCC(=O)O.
What is the InChIKey of (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid?
The InChIKey is HNAZKYQYIXEEAS-IJGJQPSKSA-N. The full InChI is InChI=1S/C18H26O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16H2,(H,19,20)(H,21,22)/b3-1+,7-5+,11-9+,15-13+.
What are the key properties of (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid?
(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid has a molecular weight of 306.40 g/mol, XLogP of 4.50, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid is sourced from PubChem (CID 87404974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).