2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide

C13H25NO3 — CID 76627517

IUPAC2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide
SMILESCCC=C(C)CCCC(C)(C)OCC(=O)NO
InChIInChI=1S/C13H25NO3/c1-5-7-11(2)8-6-9-13(3,4)17-10-12(15)14-16/h7,16H,5-6,8-10H2,1-4H3,(H,14,15)
InChIKeyZNKYVHKQSNEKKG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.81
Rot. Bonds8

About 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide

2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide (PubChem CID 76627517) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide
PubChem CID76627517
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide
SMILESCCC=C(C)CCCC(C)(C)OCC(=O)NO
InChIInChI=1S/C13H25NO3/c1-5-7-11(2)8-6-9-13(3,4)17-10-12(15)14-16/h7,16H,5-6,8-10H2,1-4H3,(H,14,15)
InChIKeyZNKYVHKQSNEKKG-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
CID 5368091
2-azido-2-methylpentane;(E)-8-bromo-4,8-dimethylnon-3-ene;2-bromo-2-methylpentane;2-chloro-2-methylpentane;(6E)-2,6-dimethylnona-2,6-diene;bis((E)-2,6-dimethylnon-6-en-2-ol);bis([(E)-2,6-dimethylnon-6-en-2-yl] acetate);2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetic acid;2-[(E)-2,6-dimethylnon-6-en-2-yl]oxy-N-hydroxyacetamide;methyl 2-[(E)-2,6-dimethylnon-6-en-2-yl]oxyacetate;bis(2-methylpentan-2-ol);2-methylpent-2-ene;tris((E)-4,8,8-trimethylnon-3-ene)
CID 160810871
(E)-6-hydroxy-2,6,10-trimethyltridec-10-enoate
CID 59229241
4-methyloct-3-ene
CID 85445337
3,7-dimethyldeca-2,7-diene
CID 173346067
(E)-N-[2-(2-hydroxyethoxy)ethyl]-8-methylundec-8-enamide
CID 89264524
4-methylheptadec-3-ene
CID 59169426
4,7,7-trimethyldodec-3-ene
CID 123515373
2-(1-amino-2-methylpropan-2-yl)oxy-N-butylacetamide
CID 65053674
(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
CID 14537577
(E)-7-methoxy-3,7-dimethyloct-2-enal
CID 14038266
1-bromo-6-ethoxy-3,6-dimethylhept-2-ene
CID 54542765

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide?
The IUPAC name of 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide (CID 76627517) is 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide.
What is the SMILES notation for 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide?
The canonical SMILES for 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide is CCC=C(C)CCCC(C)(C)OCC(=O)NO.
What is the InChIKey of 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide?
The InChIKey is ZNKYVHKQSNEKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-7-11(2)8-6-9-13(3,4)17-10-12(15)14-16/h7,16H,5-6,8-10H2,1-4H3,(H,14,15).
What are the key properties of 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide?
2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide has a molecular weight of 243.35 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide is sourced from PubChem (CID 76627517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).