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

C9H14O — CID 636687

IUPAC(2E,6E)-nona-2,6-dienal
SMILESCC/C=C/CC/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-DYWGDJMRSA-N
MW138.21 g/mol
LogP2.49
Rot. Bonds5

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

(2E,6E)-nona-2,6-dienal (PubChem CID 636687) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E,6E)-nona-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-nona-2,6-dienal
PubChem CID636687
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2E,6E)-nona-2,6-dienal
SMILESCC/C=C/CC/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-DYWGDJMRSA-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

trans-2-Hexenal
CID 5281168
2-Heptenal
CID 5283316
2-Nonenal
CID 5283335
(E)-2-Octenal
CID 5283324
2,4-Decadienal
CID 5283349
(2E)-Decenal
CID 5283345
(Z)-non-2-enal
CID 5354833
(E)-2-Pentenal
CID 5364752
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
Oct-2-enal
CID 16900
(E)-2-Undecenal
CID 5283356
trans-2,cis-6-Nonadienal
CID 643731

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-nona-2,6-dienal?
The IUPAC name of (2E,6E)-nona-2,6-dienal (CID 636687) is (2E,6E)-nona-2,6-dienal.
What is the SMILES notation for (2E,6E)-nona-2,6-dienal?
The canonical SMILES for (2E,6E)-nona-2,6-dienal is CC/C=C/CC/C=C/C=O.
What is the InChIKey of (2E,6E)-nona-2,6-dienal?
The InChIKey is HZYHMHHBBBSGHB-DYWGDJMRSA-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,6E)-nona-2,6-dienal?
(2E,6E)-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,6E)-nona-2,6-dienal is sourced from PubChem (CID 636687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).