(2E,4E)-hexa-2,4-dienoic acid;neodymium

C6H8NdO2 — CID 175104314

IUPAC(2E,4E)-hexa-2,4-dienoic acid;neodymium
SMILESC/C=C/C=C/C(=O)O.[Nd]
InChIInChI=1S/C6H8O2.Nd/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;
InChIKeyBSSRJKJKBAKIID-STWYSWDKSA-N
MW256.37 g/mol
LogP1.20
Rot. Bonds2

About (2E,4E)-hexa-2,4-dienoic acid;neodymium

(2E,4E)-hexa-2,4-dienoic acid;neodymium (PubChem CID 175104314) has the molecular formula C6H8NdO2 and a molecular weight of 256.37 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienoic acid;neodymium.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienoic acid;neodymium
PubChem CID175104314
Molecular FormulaC6H8NdO2
Molecular Weight256.37 g/mol
Exact Mass253.96
IUPAC Name(2E,4E)-hexa-2,4-dienoic acid;neodymium
SMILESC/C=C/C=C/C(=O)O.[Nd]
InChIInChI=1S/C6H8O2.Nd/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;
InChIKeyBSSRJKJKBAKIID-STWYSWDKSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-hexa-2,4-dienoic acid;neodymium 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

(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
hexa-2,4-dienoic acid;sulfane
CID 173071228
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
calcium;bis((2E,4E)-hexa-2,4-dienoic acid);hydride
CID 173392537
calcium;hexa-2,4-dienoic acid;hydride
CID 172999135
strontium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173012904
benzene;hexa-2,4-dienoic acid
CID 173310837
dipotassium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173074138
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-dienoic acid;neodymium?
The IUPAC name of (2E,4E)-hexa-2,4-dienoic acid;neodymium (CID 175104314) is (2E,4E)-hexa-2,4-dienoic acid;neodymium.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienoic acid;neodymium?
The canonical SMILES for (2E,4E)-hexa-2,4-dienoic acid;neodymium is C/C=C/C=C/C(=O)O.[Nd].
What is the InChIKey of (2E,4E)-hexa-2,4-dienoic acid;neodymium?
The InChIKey is BSSRJKJKBAKIID-STWYSWDKSA-N. The full InChI is InChI=1S/C6H8O2.Nd/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;.
What are the key properties of (2E,4E)-hexa-2,4-dienoic acid;neodymium?
(2E,4E)-hexa-2,4-dienoic acid;neodymium has a molecular weight of 256.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienoic acid;neodymium is sourced from PubChem (CID 175104314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).