6-hydroxy-2,2-dimethylhexanamide

C8H17NO2 — CID 21402976

IUPAC6-hydroxy-2,2-dimethylhexanamide
SMILESCC(C)(CCCCO)C(N)=O
InChIInChI=1S/C8H17NO2/c1-8(2,7(9)11)5-3-4-6-10/h10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyIOADFTUYYCVICD-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.66
Rot. Bonds5

About 6-hydroxy-2,2-dimethylhexanamide

6-hydroxy-2,2-dimethylhexanamide (PubChem CID 21402976) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-hydroxy-2,2-dimethylhexanamide.

Molecular Properties

Compound Name6-hydroxy-2,2-dimethylhexanamide
PubChem CID21402976
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name6-hydroxy-2,2-dimethylhexanamide
SMILESCC(C)(CCCCO)C(N)=O
InChIInChI=1S/C8H17NO2/c1-8(2,7(9)11)5-3-4-6-10/h10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyIOADFTUYYCVICD-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
7-hydroxy-2,2-dimethylheptanoyl chloride
CID 138737346
2-carbamoyl-8-hydroxy-2-methyloctanoic acid
CID 107708146
ethyl 6-hydroxy-2,2-dimethylhexanoate
CID 57424988
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
5-hydroxy-2,2-dimethylpentanethioic S-acid
CID 87178053
tert-butyl 6-hydroxy-2,2-dimethylhexanoate
CID 121332916
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
4-amino-2,2-dimethylbutanamide
CID 23366310
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2-dimethylhexanamide?
The IUPAC name of 6-hydroxy-2,2-dimethylhexanamide (CID 21402976) is 6-hydroxy-2,2-dimethylhexanamide.
What is the SMILES notation for 6-hydroxy-2,2-dimethylhexanamide?
The canonical SMILES for 6-hydroxy-2,2-dimethylhexanamide is CC(C)(CCCCO)C(N)=O.
What is the InChIKey of 6-hydroxy-2,2-dimethylhexanamide?
The InChIKey is IOADFTUYYCVICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,7(9)11)5-3-4-6-10/h10H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of 6-hydroxy-2,2-dimethylhexanamide?
6-hydroxy-2,2-dimethylhexanamide has a molecular weight of 159.23 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2-dimethylhexanamide is sourced from PubChem (CID 21402976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).