(2E)-nona-2,6-dienal

C9H14O — CID 6992048

IUPAC(2E)-nona-2,6-dienal
SMILESCCC=CCC/C=C/C=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3?,8-7+
InChIKeyHZYHMHHBBBSGHB-YCZBXKBJSA-N
MW138.21 g/mol
LogP2.49
Rot. Bonds5

About (2E)-nona-2,6-dienal

(2E)-nona-2,6-dienal (PubChem CID 6992048) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E)-nona-2,6-dienal.

Molecular Properties

Compound Name(2E)-nona-2,6-dienal
PubChem CID6992048
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2E)-nona-2,6-dienal
SMILESCCC=CCC/C=C/C=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3?,8-7+
InChIKeyHZYHMHHBBBSGHB-YCZBXKBJSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

(2E,10Z)-trideca-2,10-dienal
CID 129221038
hexa-2,4-dienal;nona-2,6-dienal
CID 175425892
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647
(E)-pent-2-enal
CID 5364752
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(2E)-octa-2,5-dienal
CID 152586701
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
(E)-hex-2-enal
CID 158800846

Frequently Asked Questions

What is the IUPAC name of (2E)-nona-2,6-dienal?
The IUPAC name of (2E)-nona-2,6-dienal (CID 6992048) is (2E)-nona-2,6-dienal.
What is the SMILES notation for (2E)-nona-2,6-dienal?
The canonical SMILES for (2E)-nona-2,6-dienal is CCC=CCC/C=C/C=O.
What is the InChIKey of (2E)-nona-2,6-dienal?
The InChIKey is HZYHMHHBBBSGHB-YCZBXKBJSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3?,8-7+.
What are the key properties of (2E)-nona-2,6-dienal?
(2E)-nona-2,6-dienal has a molecular weight of 138.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-nona-2,6-dienal is sourced from PubChem (CID 6992048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).