2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile

C18H21NO — CID 106710365

IUPAC2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
SMILESCC(C)(C#N)CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO/c1-18(2,14-19)11-5-6-12-20-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyLDJGVJPERPBNOO-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.94
Rot. Bonds6

About 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile

2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile (PubChem CID 106710365) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
PubChem CID106710365
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
SMILESCC(C)(C#N)CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO/c1-18(2,14-19)11-5-6-12-20-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyLDJGVJPERPBNOO-UHFFFAOYSA-N
XLogP4.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.94
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

6-(3-tert-butylphenoxy)-2,2-dimethylhexanenitrile
CID 106710429
6-(3-hydroxynaphthalen-2-yl)oxy-2,2-dimethylhexanenitrile
CID 106713098
2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
CID 82138838
6-(4-aminophenoxy)-2,2-dimethylhexanenitrile
CID 106708279
2,2-dimethyl-6-(2-phenoxyethoxy)hexanenitrile
CID 106710375
6-[3-(aminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708751
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
6-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710554
5-(3-tert-butylphenoxy)-2,2-dimethylpentanenitrile
CID 65257601
2,2-dimethyl-5-(3-methylphenoxy)pentanenitrile
CID 65255390
6-[3-[(1R)-1-aminoethyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106708838
5-(3-fluorophenoxy)-2,2-dimethylpentanenitrile
CID 65255391

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile?
The IUPAC name of 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile (CID 106710365) is 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile is CC(C)(C#N)CCCCOc1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile?
The InChIKey is LDJGVJPERPBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,14-19)11-5-6-12-20-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,5-6,11-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile?
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile has a molecular weight of 267.37 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile is sourced from PubChem (CID 106710365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).