(4E,6E)-8,8-dimethylnona-4,6-dienal

C11H18O — CID 14250379

IUPAC(4E,6E)-8,8-dimethylnona-4,6-dienal
SMILESCC(C)(C)/C=C/C=C/CCC=O
InChIInChI=1S/C11H18O/c1-11(2,3)9-7-5-4-6-8-10-12/h4-5,7,9-10H,6,8H2,1-3H3/b5-4+,9-7+
InChIKeyGHMFLZQMHNVCNB-NNMZAIBHSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds4

About (4E,6E)-8,8-dimethylnona-4,6-dienal

(4E,6E)-8,8-dimethylnona-4,6-dienal (PubChem CID 14250379) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4E,6E)-8,8-dimethylnona-4,6-dienal.

Molecular Properties

Compound Name(4E,6E)-8,8-dimethylnona-4,6-dienal
PubChem CID14250379
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4E,6E)-8,8-dimethylnona-4,6-dienal
SMILESCC(C)(C)/C=C/C=C/CCC=O
InChIInChI=1S/C11H18O/c1-11(2,3)9-7-5-4-6-8-10-12/h4-5,7,9-10H,6,8H2,1-3H3/b5-4+,9-7+
InChIKeyGHMFLZQMHNVCNB-NNMZAIBHSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-8,8-dimethylnona-4,6-dienal?
The IUPAC name of (4E,6E)-8,8-dimethylnona-4,6-dienal (CID 14250379) is (4E,6E)-8,8-dimethylnona-4,6-dienal.
What is the SMILES notation for (4E,6E)-8,8-dimethylnona-4,6-dienal?
The canonical SMILES for (4E,6E)-8,8-dimethylnona-4,6-dienal is CC(C)(C)/C=C/C=C/CCC=O.
What is the InChIKey of (4E,6E)-8,8-dimethylnona-4,6-dienal?
The InChIKey is GHMFLZQMHNVCNB-NNMZAIBHSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,3)9-7-5-4-6-8-10-12/h4-5,7,9-10H,6,8H2,1-3H3/b5-4+,9-7+.
What are the key properties of (4E,6E)-8,8-dimethylnona-4,6-dienal?
(4E,6E)-8,8-dimethylnona-4,6-dienal has a molecular weight of 166.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-8,8-dimethylnona-4,6-dienal is sourced from PubChem (CID 14250379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).