(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid

C11H12O2 — CID 144698849

IUPAC(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid
SMILESC=C/C=C(C=C)/C=C/C=C/C(=O)O
InChIInChI=1S/C11H12O2/c1-3-7-10(4-2)8-5-6-9-11(12)13/h3-9H,1-2H2,(H,12,13)/b8-5+,9-6+,10-7+
InChIKeyLJZKFNKROHJPNJ-DVJWZOGQSA-N
MW176.21 g/mol
LogP2.48
Rot. Bonds5

About (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid

(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid (PubChem CID 144698849) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Name(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid
PubChem CID144698849
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid
SMILESC=C/C=C(C=C)/C=C/C=C/C(=O)O
InChIInChI=1S/C11H12O2/c1-3-7-10(4-2)8-5-6-9-11(12)13/h3-9H,1-2H2,(H,12,13)/b8-5+,9-6+,10-7+
InChIKeyLJZKFNKROHJPNJ-DVJWZOGQSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.48
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'}

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Related Compounds

(2E,4Z)-4-ethenylhepta-2,4,6-trienal
CID 118145094
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
(2E,4E)-(1,6-13C2)hexa-2,4-dienedioic acid
CID 101364163
hexa-2,4-dienedioic acid
CID 310
buta-1,3-diene;hexa-2,4-dienoic acid
CID 88763418
(2E,4E)-hexa-2,4-dienoic acid;(3E)-penta-1,3-diene
CID 158184372
(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid
CID 88992940
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796
4-(2-cyanoethenyl)hepta-2,4,6-trienoic acid
CID 54357465
(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid
CID 126761936
ethane-1,2-diamine;bis(penta-2,4-dienoic acid)
CID 175419626
calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
CID 175078165

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid?
The IUPAC name of (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid (CID 144698849) is (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid.
What is the SMILES notation for (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid?
The canonical SMILES for (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid is C=C/C=C(C=C)/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid?
The InChIKey is LJZKFNKROHJPNJ-DVJWZOGQSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-7-10(4-2)8-5-6-9-11(12)13/h3-9H,1-2H2,(H,12,13)/b8-5+,9-6+,10-7+.
What are the key properties of (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid?
(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid has a molecular weight of 176.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 144698849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).