2-ethyl-2-methoxyhexanenitrile

C9H17NO — CID 15495966

IUPAC2-ethyl-2-methoxyhexanenitrile
SMILESCCCCC(C#N)(CC)OC
InChIInChI=1S/C9H17NO/c1-4-6-7-9(5-2,8-10)11-3/h4-7H2,1-3H3
InChIKeyHFKKFCWYMHFBFB-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.50
Rot. Bonds5

About 2-ethyl-2-methoxyhexanenitrile

2-ethyl-2-methoxyhexanenitrile (PubChem CID 15495966) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-ethyl-2-methoxyhexanenitrile.

Molecular Properties

Compound Name2-ethyl-2-methoxyhexanenitrile
PubChem CID15495966
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-ethyl-2-methoxyhexanenitrile
SMILESCCCCC(C#N)(CC)OC
InChIInChI=1S/C9H17NO/c1-4-6-7-9(5-2,8-10)11-3/h4-7H2,1-3H3
InChIKeyHFKKFCWYMHFBFB-UHFFFAOYSA-N
XLogP2.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-methoxybutanenitrile
CID 123789746
2-ethyl-2-methylhexanenitrile
CID 57197936
2-bromo-2-ethylhexanenitrile
CID 83085484
3-ethyl-3-methoxydecane
CID 89190150
2-hydroxy-2-methylhexanenitrile
CID 10942429
3-methoxyheptan-3-amine
CID 87397184
3,3-dimethoxynonane
CID 14785776
4,4-dimethoxy-5-methyltridecanenitrile
CID 151093071
5-methoxy-5-pentoxytetradecane
CID 161410500
5-fluoro-5-methoxyhexadecane
CID 176907960
3-methoxy-3-methyldodecane
CID 150409844
dodecane-5,5,6,6-tetracarbonitrile
CID 88846112

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxyhexanenitrile?
The IUPAC name of 2-ethyl-2-methoxyhexanenitrile (CID 15495966) is 2-ethyl-2-methoxyhexanenitrile.
What is the SMILES notation for 2-ethyl-2-methoxyhexanenitrile?
The canonical SMILES for 2-ethyl-2-methoxyhexanenitrile is CCCCC(C#N)(CC)OC.
What is the InChIKey of 2-ethyl-2-methoxyhexanenitrile?
The InChIKey is HFKKFCWYMHFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-9(5-2,8-10)11-3/h4-7H2,1-3H3.
What are the key properties of 2-ethyl-2-methoxyhexanenitrile?
2-ethyl-2-methoxyhexanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxyhexanenitrile is sourced from PubChem (CID 15495966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).