(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal

C10H16O2 — CID 11412603

IUPAC(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal
SMILESC/C(C=O)=C\CC/C(C)=C/CO
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3/b9-6+,10-5+
InChIKeyFRKZCCBKUZTFCA-TXFIJWAUSA-N
MW168.24 g/mol
LogP1.85
Rot. Bonds5

About (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal

(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal (PubChem CID 11412603) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal
PubChem CID11412603
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal
SMILESC/C(C=O)=C\CC/C(C)=C/CO
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3/b9-6+,10-5+
InChIKeyFRKZCCBKUZTFCA-TXFIJWAUSA-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 (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal?
The IUPAC name of (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal (CID 11412603) is (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal.
What is the SMILES notation for (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal?
The canonical SMILES for (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal is C/C(C=O)=C\CC/C(C)=C/CO.
What is the InChIKey of (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal?
The InChIKey is FRKZCCBKUZTFCA-TXFIJWAUSA-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/b9-6+,10-5+.
What are the key properties of (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal?
(2E,6E)-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 (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal is sourced from PubChem (CID 11412603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).