8-hydroxy-2,6-dimethylocta-2,6-dienal

C10H16O2 — CID 25201269

IUPAC8-hydroxy-2,6-dimethylocta-2,6-dienal
SMILESCC(C=O)=CCCC(C)=CCO
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyFRKZCCBKUZTFCA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.85
Rot. Bonds5

About 8-hydroxy-2,6-dimethylocta-2,6-dienal

8-hydroxy-2,6-dimethylocta-2,6-dienal (PubChem CID 25201269) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-hydroxy-2,6-dimethylocta-2,6-dienal.

Molecular Properties

Compound Name8-hydroxy-2,6-dimethylocta-2,6-dienal
PubChem CID25201269
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8-hydroxy-2,6-dimethylocta-2,6-dienal
SMILESCC(C=O)=CCCC(C)=CCO
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyFRKZCCBKUZTFCA-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,6-dimethylocta-2,6-dienal?
The IUPAC name of 8-hydroxy-2,6-dimethylocta-2,6-dienal (CID 25201269) is 8-hydroxy-2,6-dimethylocta-2,6-dienal.
What is the SMILES notation for 8-hydroxy-2,6-dimethylocta-2,6-dienal?
The canonical SMILES for 8-hydroxy-2,6-dimethylocta-2,6-dienal is CC(C=O)=CCCC(C)=CCO.
What is the InChIKey of 8-hydroxy-2,6-dimethylocta-2,6-dienal?
The InChIKey is FRKZCCBKUZTFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of 8-hydroxy-2,6-dimethylocta-2,6-dienal?
8-hydroxy-2,6-dimethylocta-2,6-dienal has a molecular weight of 168.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,6-dimethylocta-2,6-dienal is sourced from PubChem (CID 25201269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).