2-methoxyhexanenitrile

C7H13NO — CID 13225791

IUPAC2-methoxyhexanenitrile
SMILESCCCCC(C#N)OC
InChIInChI=1S/C7H13NO/c1-3-4-5-7(6-8)9-2/h7H,3-5H2,1-2H3
InChIKeyQCPDIAQMZJMOSN-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.72
Rot. Bonds4

About 2-methoxyhexanenitrile

2-methoxyhexanenitrile (PubChem CID 13225791) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methoxyhexanenitrile.

Molecular Properties

Compound Name2-methoxyhexanenitrile
PubChem CID13225791
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methoxyhexanenitrile
SMILESCCCCC(C#N)OC
InChIInChI=1S/C7H13NO/c1-3-4-5-7(6-8)9-2/h7H,3-5H2,1-2H3
InChIKeyQCPDIAQMZJMOSN-UHFFFAOYSA-N
XLogP1.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyhexanenitrile?
The IUPAC name of 2-methoxyhexanenitrile (CID 13225791) is 2-methoxyhexanenitrile.
What is the SMILES notation for 2-methoxyhexanenitrile?
The canonical SMILES for 2-methoxyhexanenitrile is CCCCC(C#N)OC.
What is the InChIKey of 2-methoxyhexanenitrile?
The InChIKey is QCPDIAQMZJMOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-5-7(6-8)9-2/h7H,3-5H2,1-2H3.
What are the key properties of 2-methoxyhexanenitrile?
2-methoxyhexanenitrile has a molecular weight of 127.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhexanenitrile is sourced from PubChem (CID 13225791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).