2,4-diethyl-3-hydroxyhexanenitrile

C10H19NO — CID 79136880

IUPAC2,4-diethyl-3-hydroxyhexanenitrile
SMILESCCC(C#N)C(O)C(CC)CC
InChIInChI=1S/C10H19NO/c1-4-8(5-2)10(12)9(6-3)7-11/h8-10,12H,4-6H2,1-3H3
InChIKeyZXXILUGXCLINQY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.33
Rot. Bonds5

About 2,4-diethyl-3-hydroxyhexanenitrile

2,4-diethyl-3-hydroxyhexanenitrile (PubChem CID 79136880) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,4-diethyl-3-hydroxyhexanenitrile.

Molecular Properties

Compound Name2,4-diethyl-3-hydroxyhexanenitrile
PubChem CID79136880
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,4-diethyl-3-hydroxyhexanenitrile
SMILESCCC(C#N)C(O)C(CC)CC
InChIInChI=1S/C10H19NO/c1-4-8(5-2)10(12)9(6-3)7-11/h8-10,12H,4-6H2,1-3H3
InChIKeyZXXILUGXCLINQY-UHFFFAOYSA-N
XLogP2.33
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
2-ethyl-3-hydroxyhexanenitrile
CID 79132579
2-ethyl-3-hydroxy-4,4-dimethylpentanenitrile
CID 79132496
2-ethyl-3-hydroxyheptanenitrile
CID 79131820
2-[hydroxy-(4-methylphenyl)methyl]butanenitrile
CID 79136788
3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
CID 54373912
3-amino-5-ethyl-2-methylheptan-4-ol
CID 115347574
2-[(3,4-dimethylphenyl)-hydroxymethyl]butanenitrile
CID 79136546
3-(dimethylamino)-2-ethylpentanenitrile
CID 116913659
(3S)-3-hydroxy-2-propylhexanenitrile
CID 176920962
2-[hydroxy-(2-methylphenyl)methyl]butanenitrile
CID 79136882
2-tert-butyl-4-ethylhexane-1,3-diol
CID 88823299

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3-hydroxyhexanenitrile?
The IUPAC name of 2,4-diethyl-3-hydroxyhexanenitrile (CID 79136880) is 2,4-diethyl-3-hydroxyhexanenitrile.
What is the SMILES notation for 2,4-diethyl-3-hydroxyhexanenitrile?
The canonical SMILES for 2,4-diethyl-3-hydroxyhexanenitrile is CCC(C#N)C(O)C(CC)CC.
What is the InChIKey of 2,4-diethyl-3-hydroxyhexanenitrile?
The InChIKey is ZXXILUGXCLINQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(5-2)10(12)9(6-3)7-11/h8-10,12H,4-6H2,1-3H3.
What are the key properties of 2,4-diethyl-3-hydroxyhexanenitrile?
2,4-diethyl-3-hydroxyhexanenitrile has a molecular weight of 169.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3-hydroxyhexanenitrile is sourced from PubChem (CID 79136880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).