(2E,4E)-6-hydroxynona-2,4-dienoic acid

C9H14O3 — CID 139589403

IUPAC(2E,4E)-6-hydroxynona-2,4-dienoic acid
SMILESCCCC(O)/C=C/C=C/C(=O)O
InChIInChI=1S/C9H14O3/c1-2-5-8(10)6-3-4-7-9(11)12/h3-4,6-8,10H,2,5H2,1H3,(H,11,12)/b6-3+,7-4+
InChIKeyCSISHJTVQMGVAU-XOKGJFMYSA-N
MW170.21 g/mol
LogP1.34
Rot. Bonds5

About (2E,4E)-6-hydroxynona-2,4-dienoic acid

(2E,4E)-6-hydroxynona-2,4-dienoic acid (PubChem CID 139589403) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2E,4E)-6-hydroxynona-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-6-hydroxynona-2,4-dienoic acid
PubChem CID139589403
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2E,4E)-6-hydroxynona-2,4-dienoic acid
SMILESCCCC(O)/C=C/C=C/C(=O)O
InChIInChI=1S/C9H14O3/c1-2-5-8(10)6-3-4-7-9(11)12/h3-4,6-8,10H,2,5H2,1H3,(H,11,12)/b6-3+,7-4+
InChIKeyCSISHJTVQMGVAU-XOKGJFMYSA-N
XLogP1.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-hydroxynona-2,4-dienoic acid?
The IUPAC name of (2E,4E)-6-hydroxynona-2,4-dienoic acid (CID 139589403) is (2E,4E)-6-hydroxynona-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-6-hydroxynona-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-6-hydroxynona-2,4-dienoic acid is CCCC(O)/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-6-hydroxynona-2,4-dienoic acid?
The InChIKey is CSISHJTVQMGVAU-XOKGJFMYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-5-8(10)6-3-4-7-9(11)12/h3-4,6-8,10H,2,5H2,1H3,(H,11,12)/b6-3+,7-4+.
What are the key properties of (2E,4E)-6-hydroxynona-2,4-dienoic acid?
(2E,4E)-6-hydroxynona-2,4-dienoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-hydroxynona-2,4-dienoic acid is sourced from PubChem (CID 139589403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).