(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal

C10H16O2 — CID 15276226

IUPAC(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal
SMILESC=CC(C)(O)CC/C=C(\C)C=O
InChIInChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,8,12H,1,5,7H2,2-3H3/b9-6+
InChIKeyHRVZNWRZLYDLBU-RMKNXTFCSA-N
MW168.24 g/mol
LogP1.85
Rot. Bonds5

About (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal

(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal (PubChem CID 15276226) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal.

Molecular Properties

Compound Name(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal
PubChem CID15276226
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal
SMILESC=CC(C)(O)CC/C=C(\C)C=O
InChIInChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,8,12H,1,5,7H2,2-3H3/b9-6+
InChIKeyHRVZNWRZLYDLBU-RMKNXTFCSA-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'}

Analyze (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal?
The IUPAC name of (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal (CID 15276226) is (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal.
What is the SMILES notation for (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal?
The canonical SMILES for (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal is C=CC(C)(O)CC/C=C(\C)C=O.
What is the InChIKey of (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal?
The InChIKey is HRVZNWRZLYDLBU-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,8,12H,1,5,7H2,2-3H3/b9-6+.
What are the key properties of (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal?
(2E)-6-hydroxy-2,6-dimethylocta-2,7-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)-6-hydroxy-2,6-dimethylocta-2,7-dienal is sourced from PubChem (CID 15276226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).