(8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal

C17H26O3 — CID 129295690

IUPAC(8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal
SMILESCO/C=C(C)/C=C(\C=C(C)C)C(=O)CCCCCC=O
InChIInChI=1S/C17H26O3/c1-14(2)11-16(12-15(3)13-20-4)17(19)9-7-5-6-8-10-18/h10-13H,5-9H2,1-4H3/b15-13+,16-12+
InChIKeyOFYHIYHTEYAINR-HVCKESBWSA-N
MW278.39 g/mol
LogP4.15
Rot. Bonds10

About (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal

(8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal (PubChem CID 129295690) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal.

Molecular Properties

Compound Name(8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal
PubChem CID129295690
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal
SMILESCO/C=C(C)/C=C(\C=C(C)C)C(=O)CCCCCC=O
InChIInChI=1S/C17H26O3/c1-14(2)11-16(12-15(3)13-20-4)17(19)9-7-5-6-8-10-18/h10-13H,5-9H2,1-4H3/b15-13+,16-12+
InChIKeyOFYHIYHTEYAINR-HVCKESBWSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal?
The IUPAC name of (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal (CID 129295690) is (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal.
What is the SMILES notation for (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal?
The canonical SMILES for (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal is CO/C=C(C)/C=C(\C=C(C)C)C(=O)CCCCCC=O.
What is the InChIKey of (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal?
The InChIKey is OFYHIYHTEYAINR-HVCKESBWSA-N. The full InChI is InChI=1S/C17H26O3/c1-14(2)11-16(12-15(3)13-20-4)17(19)9-7-5-6-8-10-18/h10-13H,5-9H2,1-4H3/b15-13+,16-12+.
What are the key properties of (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal?
(8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal has a molecular weight of 278.39 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E)-11-methoxy-10-methyl-8-(2-methylprop-1-enyl)-7-oxoundeca-8,10-dienal is sourced from PubChem (CID 129295690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).