N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide

C12H23NO2 — CID 118446700

IUPACN-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide
SMILESC=C(O)CCCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(14)6-5-7-11(15)13-9-8-12(2,3)4/h14H,1,5-9H2,2-4H3,(H,13,15)
InChIKeyOWWAHARUUOILFJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.78
Rot. Bonds6

About N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide

N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide (PubChem CID 118446700) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide
PubChem CID118446700
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide
SMILESC=C(O)CCCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(14)6-5-7-11(15)13-9-8-12(2,3)4/h14H,1,5-9H2,2-4H3,(H,13,15)
InChIKeyOWWAHARUUOILFJ-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide?
The IUPAC name of N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide (CID 118446700) is N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide is C=C(O)CCCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide?
The InChIKey is OWWAHARUUOILFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(14)6-5-7-11(15)13-9-8-12(2,3)4/h14H,1,5-9H2,2-4H3,(H,13,15).
What are the key properties of N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide?
N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-5-hydroxyhex-5-enamide is sourced from PubChem (CID 118446700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).