4-(2,3,5,6-tetramethylphenyl)pentanenitrile

C15H21N — CID 83941445

IUPAC4-(2,3,5,6-tetramethylphenyl)pentanenitrile
SMILESCc1cc(C)c(C)c(C(C)CCC#N)c1C
InChIInChI=1S/C15H21N/c1-10(7-6-8-16)15-13(4)11(2)9-12(3)14(15)5/h9-10H,6-7H2,1-5H3
InChIKeyXAAOIZDUEKQRJI-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.33
Rot. Bonds3

About 4-(2,3,5,6-tetramethylphenyl)pentanenitrile

4-(2,3,5,6-tetramethylphenyl)pentanenitrile (PubChem CID 83941445) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(2,3,5,6-tetramethylphenyl)pentanenitrile.

Molecular Properties

Compound Name4-(2,3,5,6-tetramethylphenyl)pentanenitrile
PubChem CID83941445
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4-(2,3,5,6-tetramethylphenyl)pentanenitrile
SMILESCc1cc(C)c(C)c(C(C)CCC#N)c1C
InChIInChI=1S/C15H21N/c1-10(7-6-8-16)15-13(4)11(2)9-12(3)14(15)5/h9-10H,6-7H2,1-5H3
InChIKeyXAAOIZDUEKQRJI-UHFFFAOYSA-N
XLogP4.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7247
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1,2,3,5-Tetramethylbenzene
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2-Methylbenzonitrile
CID 10721
1,2-Dimethyl-4-ethylbenzene
CID 13629
Durene
CID 7269
4-Isopropylbenzonitrile
CID 26289
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
3,4-Dihydrocadalene
CID 528708
2,5-Dimethylstyrene
CID 16265
(4-tert-Butylphenyl)acetonitrile
CID 76784

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetramethylphenyl)pentanenitrile?
The IUPAC name of 4-(2,3,5,6-tetramethylphenyl)pentanenitrile (CID 83941445) is 4-(2,3,5,6-tetramethylphenyl)pentanenitrile.
What is the SMILES notation for 4-(2,3,5,6-tetramethylphenyl)pentanenitrile?
The canonical SMILES for 4-(2,3,5,6-tetramethylphenyl)pentanenitrile is Cc1cc(C)c(C)c(C(C)CCC#N)c1C.
What is the InChIKey of 4-(2,3,5,6-tetramethylphenyl)pentanenitrile?
The InChIKey is XAAOIZDUEKQRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-10(7-6-8-16)15-13(4)11(2)9-12(3)14(15)5/h9-10H,6-7H2,1-5H3.
What are the key properties of 4-(2,3,5,6-tetramethylphenyl)pentanenitrile?
4-(2,3,5,6-tetramethylphenyl)pentanenitrile has a molecular weight of 215.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetramethylphenyl)pentanenitrile is sourced from PubChem (CID 83941445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).