5-methoxy-2,2,5-trimethylhexanenitrile

C10H19NO — CID 103017221

IUPAC5-methoxy-2,2,5-trimethylhexanenitrile
SMILESCOC(C)(C)CCC(C)(C)C#N
InChIInChI=1S/C10H19NO/c1-9(2,8-11)6-7-10(3,4)12-5/h6-7H2,1-5H3
InChIKeyUNGBMNBNIIMVOU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.74
Rot. Bonds4

About 5-methoxy-2,2,5-trimethylhexanenitrile

5-methoxy-2,2,5-trimethylhexanenitrile (PubChem CID 103017221) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-methoxy-2,2,5-trimethylhexanenitrile.

Molecular Properties

Compound Name5-methoxy-2,2,5-trimethylhexanenitrile
PubChem CID103017221
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-methoxy-2,2,5-trimethylhexanenitrile
SMILESCOC(C)(C)CCC(C)(C)C#N
InChIInChI=1S/C10H19NO/c1-9(2,8-11)6-7-10(3,4)12-5/h6-7H2,1-5H3
InChIKeyUNGBMNBNIIMVOU-UHFFFAOYSA-N
XLogP2.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
4-methoxy-4-methylpentanenitrile
CID 89129728
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
2,2-dimethylpentanedinitrile
CID 19809777
2-(3-methoxy-3-methylbutoxy)propanenitrile
CID 106665690
5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile
CID 65263083
2-amino-5-(3-methoxy-3-methylbutoxy)-2-methylpentanenitrile
CID 106666621
1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
CID 103019029
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
1-iodo-3-methoxy-3-methylbutane
CID 22236489

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,5-trimethylhexanenitrile?
The IUPAC name of 5-methoxy-2,2,5-trimethylhexanenitrile (CID 103017221) is 5-methoxy-2,2,5-trimethylhexanenitrile.
What is the SMILES notation for 5-methoxy-2,2,5-trimethylhexanenitrile?
The canonical SMILES for 5-methoxy-2,2,5-trimethylhexanenitrile is COC(C)(C)CCC(C)(C)C#N.
What is the InChIKey of 5-methoxy-2,2,5-trimethylhexanenitrile?
The InChIKey is UNGBMNBNIIMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,8-11)6-7-10(3,4)12-5/h6-7H2,1-5H3.
What are the key properties of 5-methoxy-2,2,5-trimethylhexanenitrile?
5-methoxy-2,2,5-trimethylhexanenitrile has a molecular weight of 169.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,5-trimethylhexanenitrile is sourced from PubChem (CID 103017221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).