2,2-dimethyl-6-propoxyhexanenitrile

C11H21NO — CID 106710437

IUPAC2,2-dimethyl-6-propoxyhexanenitrile
SMILESCCCOCCCCC(C)(C)C#N
InChIInChI=1S/C11H21NO/c1-4-8-13-9-6-5-7-11(2,3)10-12/h4-9H2,1-3H3
InChIKeyXMZCBDBADLKPIL-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.13
Rot. Bonds7

About 2,2-dimethyl-6-propoxyhexanenitrile

2,2-dimethyl-6-propoxyhexanenitrile (PubChem CID 106710437) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2-dimethyl-6-propoxyhexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-propoxyhexanenitrile
PubChem CID106710437
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-6-propoxyhexanenitrile
SMILESCCCOCCCCC(C)(C)C#N
InChIInChI=1S/C11H21NO/c1-4-8-13-9-6-5-7-11(2,3)10-12/h4-9H2,1-3H3
InChIKeyXMZCBDBADLKPIL-UHFFFAOYSA-N
XLogP3.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
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-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
CID 106713108
6-[(E)-but-2-enoxy]-2,2-dimethylhexanenitrile
CID 106710483
2-amino-2-methyl-5-(2-propoxyethoxy)pentanenitrile
CID 63686232
2,2-dimethyl-5-(4-methylpentoxy)pentanenitrile
CID 65257380
2,2-dimethyl-6-(2-phenoxyethoxy)hexanenitrile
CID 106710375
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
3-(4-propoxybutoxy)propanenitrile
CID 146175563
6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile
CID 106708323
2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
CID 106708901
2,2-dimethyl-6-(oxolan-2-ylmethoxy)hexanenitrile
CID 106710387
2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
CID 106710371
1-butoxy-5,5-dimethylhexane
CID 134574772

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-propoxyhexanenitrile?
The IUPAC name of 2,2-dimethyl-6-propoxyhexanenitrile (CID 106710437) is 2,2-dimethyl-6-propoxyhexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-propoxyhexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-propoxyhexanenitrile is CCCOCCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-propoxyhexanenitrile?
The InChIKey is XMZCBDBADLKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-8-13-9-6-5-7-11(2,3)10-12/h4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-propoxyhexanenitrile?
2,2-dimethyl-6-propoxyhexanenitrile has a molecular weight of 183.29 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-propoxyhexanenitrile is sourced from PubChem (CID 106710437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).