9-hydroxy-4,4,7,7-tetramethylnonanenitrile

C13H25NO — CID 166904994

IUPAC9-hydroxy-4,4,7,7-tetramethylnonanenitrile
SMILESCC(C)(CCO)CCC(C)(C)CCC#N
InChIInChI=1S/C13H25NO/c1-12(2,6-5-10-14)7-8-13(3,4)9-11-15/h15H,5-9,11H2,1-4H3
InChIKeyHPPZEQCUWGSONE-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.51
Rot. Bonds7

About 9-hydroxy-4,4,7,7-tetramethylnonanenitrile

9-hydroxy-4,4,7,7-tetramethylnonanenitrile (PubChem CID 166904994) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 9-hydroxy-4,4,7,7-tetramethylnonanenitrile.

Molecular Properties

Compound Name9-hydroxy-4,4,7,7-tetramethylnonanenitrile
PubChem CID166904994
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name9-hydroxy-4,4,7,7-tetramethylnonanenitrile
SMILESCC(C)(CCO)CCC(C)(C)CCC#N
InChIInChI=1S/C13H25NO/c1-12(2,6-5-10-14)7-8-13(3,4)9-11-15/h15H,5-9,11H2,1-4H3
InChIKeyHPPZEQCUWGSONE-UHFFFAOYSA-N
XLogP3.51
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4,4,7,7-tetramethylnonanenitrile?
The IUPAC name of 9-hydroxy-4,4,7,7-tetramethylnonanenitrile (CID 166904994) is 9-hydroxy-4,4,7,7-tetramethylnonanenitrile.
What is the SMILES notation for 9-hydroxy-4,4,7,7-tetramethylnonanenitrile?
The canonical SMILES for 9-hydroxy-4,4,7,7-tetramethylnonanenitrile is CC(C)(CCO)CCC(C)(C)CCC#N.
What is the InChIKey of 9-hydroxy-4,4,7,7-tetramethylnonanenitrile?
The InChIKey is HPPZEQCUWGSONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,6-5-10-14)7-8-13(3,4)9-11-15/h15H,5-9,11H2,1-4H3.
What are the key properties of 9-hydroxy-4,4,7,7-tetramethylnonanenitrile?
9-hydroxy-4,4,7,7-tetramethylnonanenitrile has a molecular weight of 211.35 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,4,7,7-tetramethylnonanenitrile is sourced from PubChem (CID 166904994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).