(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide

C12H21NO2 — CID 121010680

IUPAC(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide
SMILESCC(C)=CCC/C(C)=C/CCC(=O)NO
InChIInChI=1S/C12H21NO2/c1-10(2)6-4-7-11(3)8-5-9-12(14)13-15/h6,8,15H,4-5,7,9H2,1-3H3,(H,13,14)/b11-8+
InChIKeyWSTPLMBZBJLAOB-DHZHZOJOSA-N
MW211.30 g/mol
LogP2.96
Rot. Bonds6

About (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide

(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide (PubChem CID 121010680) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide.

Molecular Properties

Compound Name(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide
PubChem CID121010680
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide
SMILESCC(C)=CCC/C(C)=C/CCC(=O)NO
InChIInChI=1S/C12H21NO2/c1-10(2)6-4-7-11(3)8-5-9-12(14)13-15/h6,8,15H,4-5,7,9H2,1-3H3,(H,13,14)/b11-8+
InChIKeyWSTPLMBZBJLAOB-DHZHZOJOSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide?
The IUPAC name of (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide (CID 121010680) is (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide.
What is the SMILES notation for (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide?
The canonical SMILES for (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide is CC(C)=CCC/C(C)=C/CCC(=O)NO.
What is the InChIKey of (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide?
The InChIKey is WSTPLMBZBJLAOB-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)6-4-7-11(3)8-5-9-12(14)13-15/h6,8,15H,4-5,7,9H2,1-3H3,(H,13,14)/b11-8+.
What are the key properties of (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide?
(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide has a molecular weight of 211.30 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide is sourced from PubChem (CID 121010680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).