3-ethyl-3-hydroxy-2-methylpentanenitrile

C8H15NO — CID 11147781

IUPAC3-ethyl-3-hydroxy-2-methylpentanenitrile
SMILESCCC(O)(CC)C(C)C#N
InChIInChI=1S/C8H15NO/c1-4-8(10,5-2)7(3)6-9/h7,10H,4-5H2,1-3H3
InChIKeyMIKIMPQQGFWAIH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.70
Rot. Bonds3

About 3-ethyl-3-hydroxy-2-methylpentanenitrile

3-ethyl-3-hydroxy-2-methylpentanenitrile (PubChem CID 11147781) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-2-methylpentanenitrile.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-2-methylpentanenitrile
PubChem CID11147781
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethyl-3-hydroxy-2-methylpentanenitrile
SMILESCCC(O)(CC)C(C)C#N
InChIInChI=1S/C8H15NO/c1-4-8(10,5-2)7(3)6-9/h7,10H,4-5H2,1-3H3
InChIKeyMIKIMPQQGFWAIH-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-2-methylpentanenitrile?
The IUPAC name of 3-ethyl-3-hydroxy-2-methylpentanenitrile (CID 11147781) is 3-ethyl-3-hydroxy-2-methylpentanenitrile.
What is the SMILES notation for 3-ethyl-3-hydroxy-2-methylpentanenitrile?
The canonical SMILES for 3-ethyl-3-hydroxy-2-methylpentanenitrile is CCC(O)(CC)C(C)C#N.
What is the InChIKey of 3-ethyl-3-hydroxy-2-methylpentanenitrile?
The InChIKey is MIKIMPQQGFWAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10,5-2)7(3)6-9/h7,10H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-3-hydroxy-2-methylpentanenitrile?
3-ethyl-3-hydroxy-2-methylpentanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-2-methylpentanenitrile is sourced from PubChem (CID 11147781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).