2-methoxy-5-methylhexanenitrile

C8H15NO — CID 130959387

IUPAC2-methoxy-5-methylhexanenitrile
SMILESCOC(C#N)CCC(C)C
InChIInChI=1S/C8H15NO/c1-7(2)4-5-8(6-9)10-3/h7-8H,4-5H2,1-3H3
InChIKeyOXBXVDDUIFYEKQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds4

About 2-methoxy-5-methylhexanenitrile

2-methoxy-5-methylhexanenitrile (PubChem CID 130959387) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methoxy-5-methylhexanenitrile.

Molecular Properties

Compound Name2-methoxy-5-methylhexanenitrile
PubChem CID130959387
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methoxy-5-methylhexanenitrile
SMILESCOC(C#N)CCC(C)C
InChIInChI=1S/C8H15NO/c1-7(2)4-5-8(6-9)10-3/h7-8H,4-5H2,1-3H3
InChIKeyOXBXVDDUIFYEKQ-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxyhexanenitrile
CID 13225791
(2S)-2,3-dimethoxypropanenitrile
CID 92976102
2,4-dimethoxy-4-methylpentanenitrile
CID 106676522
2-(bromomethyl)-5-methylhexanenitrile
CID 63215432
(2S)-2-methoxy-3-methylbutanenitrile
CID 97030930
5-methyl-2-(methylamino)hexanenitrile
CID 131187113
(3-methoxy-2,7-dimethyloctan-4-yl)hydrazine
CID 105271928
(2S)-2-methoxy-5-methylhexanoic acid
CID 158935693
2-ethenyl-5-methylhexanenitrile
CID 173094032
5-methoxy-4,8-dimethylnon-3-ene
CID 54039577
2-methoxy-5,6,9-trimethyldecane
CID 144623899
(2R,5R)-5-methoxy-6-methyl-2-phenylmethoxyheptanenitrile
CID 15691336

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylhexanenitrile?
The IUPAC name of 2-methoxy-5-methylhexanenitrile (CID 130959387) is 2-methoxy-5-methylhexanenitrile.
What is the SMILES notation for 2-methoxy-5-methylhexanenitrile?
The canonical SMILES for 2-methoxy-5-methylhexanenitrile is COC(C#N)CCC(C)C.
What is the InChIKey of 2-methoxy-5-methylhexanenitrile?
The InChIKey is OXBXVDDUIFYEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)4-5-8(6-9)10-3/h7-8H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-5-methylhexanenitrile?
2-methoxy-5-methylhexanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylhexanenitrile is sourced from PubChem (CID 130959387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).