(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide

C14H25NO2 — CID 88779024

IUPAC(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
SMILESCCN(CC)C(=O)/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C14H25NO2/c1-5-15(6-2)14(17)10-12(3)8-7-9-13(4)11-16/h9-10,16H,5-8,11H2,1-4H3/b12-10+,13-9+
InChIKeyLYAAPGKESKPOKG-DSEBWEOJSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds7

About (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide

(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide (PubChem CID 88779024) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
PubChem CID88779024
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
SMILESCCN(CC)C(=O)/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C14H25NO2/c1-5-15(6-2)14(17)10-12(3)8-7-9-13(4)11-16/h9-10,16H,5-8,11H2,1-4H3/b12-10+,13-9+
InChIKeyLYAAPGKESKPOKG-DSEBWEOJSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide (CID 88779024) is (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide is CCN(CC)C(=O)/C=C(\C)CC/C=C(\C)CO.
What is the InChIKey of (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
The InChIKey is LYAAPGKESKPOKG-DSEBWEOJSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-15(6-2)14(17)10-12(3)8-7-9-13(4)11-16/h9-10,16H,5-8,11H2,1-4H3/b12-10+,13-9+.
What are the key properties of (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide?
(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide has a molecular weight of 239.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 88779024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).