4-hydroxy-5,5-dimethylhexanenitrile

C8H15NO — CID 10654308

IUPAC4-hydroxy-5,5-dimethylhexanenitrile
SMILESCC(C)(C)C(O)CCC#N
InChIInChI=1S/C8H15NO/c1-8(2,3)7(10)5-4-6-9/h7,10H,4-5H2,1-3H3
InChIKeyYMTHXIYCSQWNPX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.70
Rot. Bonds2

About 4-hydroxy-5,5-dimethylhexanenitrile

4-hydroxy-5,5-dimethylhexanenitrile (PubChem CID 10654308) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethylhexanenitrile.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethylhexanenitrile
PubChem CID10654308
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-hydroxy-5,5-dimethylhexanenitrile
SMILESCC(C)(C)C(O)CCC#N
InChIInChI=1S/C8H15NO/c1-8(2,3)7(10)5-4-6-9/h7,10H,4-5H2,1-3H3
InChIKeyYMTHXIYCSQWNPX-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-5,5-dimethylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-4,4-dimethylpentanenitrile
CID 93234122
(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile
CID 10725545
4-methylheptanedinitrile
CID 12673956
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845
2-cyanoethyl-bis[di(propan-2-yl)amino]-hydroxyphosphanium
CID 87077983
5-hydroxy-4-methylhexanenitrile
CID 130122658
4-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]butanenitrile
CID 95309198
(2S)-2-hydroxypentanedinitrile
CID 98062050
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
4-amino-4-hydroxybutanenitrile
CID 88688773
(4R,6R)-4,6-dihydroxy-5,5-dimethyl-8-phenyloctanenitrile
CID 15786597

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethylhexanenitrile?
The IUPAC name of 4-hydroxy-5,5-dimethylhexanenitrile (CID 10654308) is 4-hydroxy-5,5-dimethylhexanenitrile.
What is the SMILES notation for 4-hydroxy-5,5-dimethylhexanenitrile?
The canonical SMILES for 4-hydroxy-5,5-dimethylhexanenitrile is CC(C)(C)C(O)CCC#N.
What is the InChIKey of 4-hydroxy-5,5-dimethylhexanenitrile?
The InChIKey is YMTHXIYCSQWNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)7(10)5-4-6-9/h7,10H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-5,5-dimethylhexanenitrile?
4-hydroxy-5,5-dimethylhexanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethylhexanenitrile is sourced from PubChem (CID 10654308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).