(4E,8E)-dodeca-4,8-dienedioic acid

C12H18O4 — CID 6537917

IUPAC(4E,8E)-dodeca-4,8-dienedioic acid
SMILESO=C(O)CC/C=C/CC/C=C/CCC(=O)O
InChIInChI=1S/C12H18O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-6H,1-2,7-10H2,(H,13,14)(H,15,16)/b5-3+,6-4+
InChIKeyWPSFKKQQTBEENR-GGWOSOGESA-N
MW226.27 g/mol
LogP2.61
Rot. Bonds9

About (4E,8E)-dodeca-4,8-dienedioic acid

(4E,8E)-dodeca-4,8-dienedioic acid (PubChem CID 6537917) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (4E,8E)-dodeca-4,8-dienedioic acid.

Molecular Properties

Compound Name(4E,8E)-dodeca-4,8-dienedioic acid
PubChem CID6537917
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(4E,8E)-dodeca-4,8-dienedioic acid
SMILESO=C(O)CC/C=C/CC/C=C/CCC(=O)O
InChIInChI=1S/C12H18O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-6H,1-2,7-10H2,(H,13,14)(H,15,16)/b5-3+,6-4+
InChIKeyWPSFKKQQTBEENR-GGWOSOGESA-N
XLogP2.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetracosa-4,8,12,15,19,22-hexaenoic acid
CID 164519601
(E)-pentadec-4-enedioic acid
CID 156873655
(E)-octadec-4-enedioic acid
CID 166071490
hept-4-enoic acid;hydrochloride
CID 143782457
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849
14,14-dimethylpentadeca-4,8,12-trienoic acid
CID 141431302
icosa-4,10,14-trienoic acid
CID 162425838
5-fluoropent-4-enoic acid
CID 173120467
6-phosphonohex-4-enoic acid
CID 173274154
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992
(E)-8-aminooct-4-enoic acid
CID 6365538

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-dodeca-4,8-dienedioic acid?
The IUPAC name of (4E,8E)-dodeca-4,8-dienedioic acid (CID 6537917) is (4E,8E)-dodeca-4,8-dienedioic acid.
What is the SMILES notation for (4E,8E)-dodeca-4,8-dienedioic acid?
The canonical SMILES for (4E,8E)-dodeca-4,8-dienedioic acid is O=C(O)CC/C=C/CC/C=C/CCC(=O)O.
What is the InChIKey of (4E,8E)-dodeca-4,8-dienedioic acid?
The InChIKey is WPSFKKQQTBEENR-GGWOSOGESA-N. The full InChI is InChI=1S/C12H18O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-6H,1-2,7-10H2,(H,13,14)(H,15,16)/b5-3+,6-4+.
What are the key properties of (4E,8E)-dodeca-4,8-dienedioic acid?
(4E,8E)-dodeca-4,8-dienedioic acid has a molecular weight of 226.27 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-dodeca-4,8-dienedioic acid is sourced from PubChem (CID 6537917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).