(5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid

C11H14O3 — CID 142223223

IUPAC(5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid
SMILESC=C/C=C\C(=C/C)C(=O)CCC(=O)O
InChIInChI=1S/C11H14O3/c1-3-5-6-9(4-2)10(12)7-8-11(13)14/h3-6H,1,7-8H2,2H3,(H,13,14)/b6-5-,9-4+
InChIKeyNMVJQZXKPFKCNR-CXBDEZGUSA-N
MW194.23 g/mol
LogP2.11
Rot. Bonds6

About (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid

(5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid (PubChem CID 142223223) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid.

Molecular Properties

Compound Name(5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid
PubChem CID142223223
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid
SMILESC=C/C=C\C(=C/C)C(=O)CCC(=O)O
InChIInChI=1S/C11H14O3/c1-3-5-6-9(4-2)10(12)7-8-11(13)14/h3-6H,1,7-8H2,2H3,(H,13,14)/b6-5-,9-4+
InChIKeyNMVJQZXKPFKCNR-CXBDEZGUSA-N
XLogP2.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexanedioic acid;penta-1,3-diene
CID 174652823
(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid
CID 156838042
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
CID 118361831
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
ethane;(3E,4Z)-3-ethylidene-1,1,1-trifluorohepta-4,6-dien-2-one
CID 167454671
1-[[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]amino]propan-2-one
CID 142835639
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
(3E,4Z)-2-(aminomethyl)-3-ethylidenehepta-4,6-dienoic acid
CID 143110029
CID 144647429
CID 144647429
4-[[(2E)-penta-2,4-dienoyl]amino]butanoic acid
CID 145386687
butanedioic acid;N-methylethenamine
CID 159613877

Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid?
The IUPAC name of (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid (CID 142223223) is (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid.
What is the SMILES notation for (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid?
The canonical SMILES for (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid is C=C/C=C\C(=C/C)C(=O)CCC(=O)O.
What is the InChIKey of (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid?
The InChIKey is NMVJQZXKPFKCNR-CXBDEZGUSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-5-6-9(4-2)10(12)7-8-11(13)14/h3-6H,1,7-8H2,2H3,(H,13,14)/b6-5-,9-4+.
What are the key properties of (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid?
(5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid is sourced from PubChem (CID 142223223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).