3-methoxy-3-methylhexanenitrile

C8H15NO — CID 57145144

IUPAC3-methoxy-3-methylhexanenitrile
SMILESCCCC(C)(CC#N)OC
InChIInChI=1S/C8H15NO/c1-4-5-8(2,10-3)6-7-9/h4-6H2,1-3H3
InChIKeyMHSUHRRTSFDULT-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.11
Rot. Bonds4

About 3-methoxy-3-methylhexanenitrile

3-methoxy-3-methylhexanenitrile (PubChem CID 57145144) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methoxy-3-methylhexanenitrile.

Molecular Properties

Compound Name3-methoxy-3-methylhexanenitrile
PubChem CID57145144
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methoxy-3-methylhexanenitrile
SMILESCCCC(C)(CC#N)OC
InChIInChI=1S/C8H15NO/c1-4-5-8(2,10-3)6-7-9/h4-6H2,1-3H3
InChIKeyMHSUHRRTSFDULT-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylhexanenitrile?
The IUPAC name of 3-methoxy-3-methylhexanenitrile (CID 57145144) is 3-methoxy-3-methylhexanenitrile.
What is the SMILES notation for 3-methoxy-3-methylhexanenitrile?
The canonical SMILES for 3-methoxy-3-methylhexanenitrile is CCCC(C)(CC#N)OC.
What is the InChIKey of 3-methoxy-3-methylhexanenitrile?
The InChIKey is MHSUHRRTSFDULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(2,10-3)6-7-9/h4-6H2,1-3H3.
What are the key properties of 3-methoxy-3-methylhexanenitrile?
3-methoxy-3-methylhexanenitrile has a molecular weight of 141.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylhexanenitrile is sourced from PubChem (CID 57145144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).