(3E,6E)-nona-3,6-dienal

C9H14O — CID 5283340

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

About (3E,6E)-nona-3,6-dienal

(3E,6E)-nona-3,6-dienal (PubChem CID 5283340) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E,6E)-nona-3,6-dienal.

Molecular Properties

Compound Name(3E,6E)-nona-3,6-dienal
PubChem CID5283340
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3E,6E)-nona-3,6-dienal
SMILESCC/C=C/C/C=C/CC=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6+
InChIKeyFIDBXHOCOXRPRO-FZWLCVONSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-nona-3,6-dienal?
The IUPAC name of (3E,6E)-nona-3,6-dienal (CID 5283340) is (3E,6E)-nona-3,6-dienal.
What is the SMILES notation for (3E,6E)-nona-3,6-dienal?
The canonical SMILES for (3E,6E)-nona-3,6-dienal is CC/C=C/C/C=C/CC=O.
What is the InChIKey of (3E,6E)-nona-3,6-dienal?
The InChIKey is FIDBXHOCOXRPRO-FZWLCVONSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6+.
What are the key properties of (3E,6E)-nona-3,6-dienal?
(3E,6E)-nona-3,6-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 (3E,6E)-nona-3,6-dienal is sourced from PubChem (CID 5283340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).