(2Z,4E)-3-methylnona-2,4-dienal

C10H16O — CID 10678430

IUPAC(2Z,4E)-3-methylnona-2,4-dienal
SMILESCCCC/C=C/C(C)=C\C=O
InChIInChI=1S/C10H16O/c1-3-4-5-6-7-10(2)8-9-11/h6-9H,3-5H2,1-2H3/b7-6+,10-8-
InChIKeyJVYJNGMCRRAQDF-QDJLDCPTSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds5

About (2Z,4E)-3-methylnona-2,4-dienal

(2Z,4E)-3-methylnona-2,4-dienal (PubChem CID 10678430) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z,4E)-3-methylnona-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-3-methylnona-2,4-dienal
PubChem CID10678430
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2Z,4E)-3-methylnona-2,4-dienal
SMILESCCCC/C=C/C(C)=C\C=O
InChIInChI=1S/C10H16O/c1-3-4-5-6-7-10(2)8-9-11/h6-9H,3-5H2,1-2H3/b7-6+,10-8-
InChIKeyJVYJNGMCRRAQDF-QDJLDCPTSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-methyldeca-3,5-diene
CID 173452678
(2E,4E)-3-methylnona-2,4-dienoic acid
CID 87750367
(1Z,3E)-N,2-dimethylocta-1,3-dien-1-amine
CID 138648930
methane;oct-3-en-2-one
CID 175702789
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
hept-2-enoyl fluoride
CID 162347019
CID 158204021
CID 158204021
[(1E,3E)-2-methylocta-1,3-dienyl]benzene
CID 15953217
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
calcium bis(hept-2-enoate)
CID 141143408
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
hept-2-enamide;dihydrochloride
CID 142841404

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-methylnona-2,4-dienal?
The IUPAC name of (2Z,4E)-3-methylnona-2,4-dienal (CID 10678430) is (2Z,4E)-3-methylnona-2,4-dienal.
What is the SMILES notation for (2Z,4E)-3-methylnona-2,4-dienal?
The canonical SMILES for (2Z,4E)-3-methylnona-2,4-dienal is CCCC/C=C/C(C)=C\C=O.
What is the InChIKey of (2Z,4E)-3-methylnona-2,4-dienal?
The InChIKey is JVYJNGMCRRAQDF-QDJLDCPTSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-5-6-7-10(2)8-9-11/h6-9H,3-5H2,1-2H3/b7-6+,10-8-.
What are the key properties of (2Z,4E)-3-methylnona-2,4-dienal?
(2Z,4E)-3-methylnona-2,4-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-methylnona-2,4-dienal is sourced from PubChem (CID 10678430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).