5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile

C17H23NO2 — CID 65454089

IUPAC5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCOc1cccc2c1CCCC2O
InChIInChI=1S/C17H23NO2/c1-17(2,12-18)10-5-11-20-16-9-4-6-13-14(16)7-3-8-15(13)19/h4,6,9,15,19H,3,5,7-8,10-11H2,1-2H3
InChIKeyWVZLATBQMAVVGL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.77
Rot. Bonds5

About 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile

5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile (PubChem CID 65454089) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile
PubChem CID65454089
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCOc1cccc2c1CCCC2O
InChIInChI=1S/C17H23NO2/c1-17(2,12-18)10-5-11-20-16-9-4-6-13-14(16)7-3-8-15(13)19/h4,6,9,15,19H,3,5,7-8,10-11H2,1-2H3
InChIKeyWVZLATBQMAVVGL-UHFFFAOYSA-N
XLogP3.77
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
CID 65454087
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
CID 60730702
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79228032
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]butanenitrile
CID 65453706
N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 60746799
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
5-(2-fluoro-3-methylphenoxy)-2,2-dimethylpentanenitrile
CID 103988316
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2,2-dimethylhexanenitrile
CID 106712514
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819

Frequently Asked Questions

What is the IUPAC name of 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile (CID 65454089) is 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCOc1cccc2c1CCCC2O.
What is the InChIKey of 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile?
The InChIKey is WVZLATBQMAVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,12-18)10-5-11-20-16-9-4-6-13-14(16)7-3-8-15(13)19/h4,6,9,15,19H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile?
5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile has a molecular weight of 273.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65454089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).