(2E,6E)-4-hydroxynona-2,6-dienal

C9H14O2 — CID 6438523

IUPAC(2E,6E)-4-hydroxynona-2,6-dienal
SMILESCC/C=C/CC(O)/C=C/C=O
InChIInChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h3-5,7-9,11H,2,6H2,1H3/b4-3+,7-5+
InChIKeySGYMXVFEVUMCKO-BDWKERMESA-N
MW154.21 g/mol
LogP1.46
Rot. Bonds5

About (2E,6E)-4-hydroxynona-2,6-dienal

(2E,6E)-4-hydroxynona-2,6-dienal (PubChem CID 6438523) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2E,6E)-4-hydroxynona-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-4-hydroxynona-2,6-dienal
PubChem CID6438523
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2E,6E)-4-hydroxynona-2,6-dienal
SMILESCC/C=C/CC(O)/C=C/C=O
InChIInChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h3-5,7-9,11H,2,6H2,1H3/b4-3+,7-5+
InChIKeySGYMXVFEVUMCKO-BDWKERMESA-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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Related Compounds

(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal
CID 88953533
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
CID 71665428
(3Z,6S,7E,9Z,12Z,14E,16S,18Z)-docosa-3,7,9,12,14,18-hexaene-6,16-diol
CID 87522953
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoate
CID 146681088
(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
CID 135226178

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-4-hydroxynona-2,6-dienal?
The IUPAC name of (2E,6E)-4-hydroxynona-2,6-dienal (CID 6438523) is (2E,6E)-4-hydroxynona-2,6-dienal.
What is the SMILES notation for (2E,6E)-4-hydroxynona-2,6-dienal?
The canonical SMILES for (2E,6E)-4-hydroxynona-2,6-dienal is CC/C=C/CC(O)/C=C/C=O.
What is the InChIKey of (2E,6E)-4-hydroxynona-2,6-dienal?
The InChIKey is SGYMXVFEVUMCKO-BDWKERMESA-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/b4-3+,7-5+.
What are the key properties of (2E,6E)-4-hydroxynona-2,6-dienal?
(2E,6E)-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 (2E,6E)-4-hydroxynona-2,6-dienal is sourced from PubChem (CID 6438523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).