(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide

C10H17NO3 — CID 88883922

IUPAC(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CO
InChIInChI=1S/C10H17NO3/c1-11(14-2)10(13)8-6-4-3-5-7-9-12/h5-8,12H,3-4,9H2,1-2H3/b7-5+,8-6+
InChIKeyUPSFVQUNCBAEBQ-KQQUZDAGSA-N
MW199.25 g/mol
LogP0.89
Rot. Bonds6

About (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide

(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide (PubChem CID 88883922) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide
PubChem CID88883922
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CO
InChIInChI=1S/C10H17NO3/c1-11(14-2)10(13)8-6-4-3-5-7-9-12/h5-8,12H,3-4,9H2,1-2H3/b7-5+,8-6+
InChIKeyUPSFVQUNCBAEBQ-KQQUZDAGSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide
CID 89219272
(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
CID 58883196
(213C)octa-2,6-diene-1,8-diol
CID 57064560
cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
CID 176970861
(E)-3-cyclopropyl-N-methoxy-N-methylprop-2-enamide
CID 11030053
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
5-fluoro-N,N-dimethylpent-2-enamide
CID 141430531
(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide
CID 141437196
(E)-4-(3-bromo-2-hydroxyphenyl)-N-methoxy-N-methylbut-2-enamide
CID 122371874
1,3-dimethoxy-1,3-dimethylurea
CID 11159391

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide?
The IUPAC name of (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide (CID 88883922) is (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide.
What is the SMILES notation for (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide?
The canonical SMILES for (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide is CON(C)C(=O)/C=C/CC/C=C/CO.
What is the InChIKey of (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide?
The InChIKey is UPSFVQUNCBAEBQ-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11(14-2)10(13)8-6-4-3-5-7-9-12/h5-8,12H,3-4,9H2,1-2H3/b7-5+,8-6+.
What are the key properties of (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide?
(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide has a molecular weight of 199.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide is sourced from PubChem (CID 88883922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).