hexa-2,4-dienal;nona-2,6-dienal

C15H22O2 — CID 175425892

IUPAChexa-2,4-dienal;nona-2,6-dienal
SMILESCC=CC=CC=O.CCC=CCCC=CC=O
InChIInChI=1S/C9H14O.C6H8O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7/h3-4,7-9H,2,5-6H2,1H3;2-6H,1H3
InChIKeyNLWKEDRXFWNVNP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.81
Rot. Bonds7

About hexa-2,4-dienal;nona-2,6-dienal

hexa-2,4-dienal;nona-2,6-dienal (PubChem CID 175425892) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is hexa-2,4-dienal;nona-2,6-dienal.

Molecular Properties

Compound Namehexa-2,4-dienal;nona-2,6-dienal
PubChem CID175425892
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namehexa-2,4-dienal;nona-2,6-dienal
SMILESCC=CC=CC=O.CCC=CCCC=CC=O
InChIInChI=1S/C9H14O.C6H8O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7/h3-4,7-9H,2,5-6H2,1H3;2-6H,1H3
InChIKeyNLWKEDRXFWNVNP-UHFFFAOYSA-N
XLogP3.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexa-2,4-dienal;nona-2,6-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-nona-2,6-dienal
CID 6992048
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
(2E,10Z)-trideca-2,10-dienal
CID 129221038
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
(E)-pent-2-enal
CID 5364752
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
(2E,7Z)-deca-2,4,7-trienal
CID 86595204
(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
CID 87856507
(2Z,4Z,7Z)-deca-2,4,7-trienal
CID 146449298
(2E,4E,7E)-deca-2,4,7-trienal
CID 5283352
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975

Frequently Asked Questions

What is the IUPAC name of hexa-2,4-dienal;nona-2,6-dienal?
The IUPAC name of hexa-2,4-dienal;nona-2,6-dienal (CID 175425892) is hexa-2,4-dienal;nona-2,6-dienal.
What is the SMILES notation for hexa-2,4-dienal;nona-2,6-dienal?
The canonical SMILES for hexa-2,4-dienal;nona-2,6-dienal is CC=CC=CC=O.CCC=CCCC=CC=O.
What is the InChIKey of hexa-2,4-dienal;nona-2,6-dienal?
The InChIKey is NLWKEDRXFWNVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C6H8O/c1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7/h3-4,7-9H,2,5-6H2,1H3;2-6H,1H3.
What are the key properties of hexa-2,4-dienal;nona-2,6-dienal?
hexa-2,4-dienal;nona-2,6-dienal has a molecular weight of 234.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-dienal;nona-2,6-dienal is sourced from PubChem (CID 175425892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).