4-hydroxynona-2,6-dienal

C9H14O2 — CID 3035513

IUPAC4-hydroxynona-2,6-dienal
SMILESCCC=CCC(O)C=CC=O
InChIInChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h3-5,7-9,11H,2,6H2,1H3
InChIKeySGYMXVFEVUMCKO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.46
Rot. Bonds5

About 4-hydroxynona-2,6-dienal

4-hydroxynona-2,6-dienal (PubChem CID 3035513) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-hydroxynona-2,6-dienal.

Molecular Properties

Compound Name4-hydroxynona-2,6-dienal
PubChem CID3035513
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-hydroxynona-2,6-dienal
SMILESCCC=CCC(O)C=CC=O
InChIInChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h3-5,7-9,11H,2,6H2,1H3
InChIKeySGYMXVFEVUMCKO-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxynona-2,6-dienal?
The IUPAC name of 4-hydroxynona-2,6-dienal (CID 3035513) is 4-hydroxynona-2,6-dienal.
What is the SMILES notation for 4-hydroxynona-2,6-dienal?
The canonical SMILES for 4-hydroxynona-2,6-dienal is CCC=CCC(O)C=CC=O.
What is the InChIKey of 4-hydroxynona-2,6-dienal?
The InChIKey is SGYMXVFEVUMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h3-5,7-9,11H,2,6H2,1H3.
What are the key properties of 4-hydroxynona-2,6-dienal?
4-hydroxynona-2,6-dienal has a molecular weight of 154.21 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynona-2,6-dienal is sourced from PubChem (CID 3035513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).