3-hydroxy-2,2,4-trimethylpentanenitrile

C8H15NO — CID 550070

IUPAC3-hydroxy-2,2,4-trimethylpentanenitrile
SMILESCC(C)C(O)C(C)(C)C#N
InChIInChI=1S/C8H15NO/c1-6(2)7(10)8(3,4)5-9/h6-7,10H,1-4H3
InChIKeyYQUDZXMXULHYPN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.55
Rot. Bonds2

About 3-hydroxy-2,2,4-trimethylpentanenitrile

3-hydroxy-2,2,4-trimethylpentanenitrile (PubChem CID 550070) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-hydroxy-2,2,4-trimethylpentanenitrile.

Molecular Properties

Compound Name3-hydroxy-2,2,4-trimethylpentanenitrile
PubChem CID550070
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-hydroxy-2,2,4-trimethylpentanenitrile
SMILESCC(C)C(O)C(C)(C)C#N
InChIInChI=1S/C8H15NO/c1-6(2)7(10)8(3,4)5-9/h6-7,10H,1-4H3
InChIKeyYQUDZXMXULHYPN-UHFFFAOYSA-N
XLogP1.55
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,4-trimethylpentanenitrile?
The IUPAC name of 3-hydroxy-2,2,4-trimethylpentanenitrile (CID 550070) is 3-hydroxy-2,2,4-trimethylpentanenitrile.
What is the SMILES notation for 3-hydroxy-2,2,4-trimethylpentanenitrile?
The canonical SMILES for 3-hydroxy-2,2,4-trimethylpentanenitrile is CC(C)C(O)C(C)(C)C#N.
What is the InChIKey of 3-hydroxy-2,2,4-trimethylpentanenitrile?
The InChIKey is YQUDZXMXULHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7(10)8(3,4)5-9/h6-7,10H,1-4H3.
What are the key properties of 3-hydroxy-2,2,4-trimethylpentanenitrile?
3-hydroxy-2,2,4-trimethylpentanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,4-trimethylpentanenitrile is sourced from PubChem (CID 550070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).