4-hydroxy-4,6-dimethylheptanenitrile

C9H17NO — CID 14900500

IUPAC4-hydroxy-4,6-dimethylheptanenitrile
SMILESCC(C)CC(C)(O)CCC#N
InChIInChI=1S/C9H17NO/c1-8(2)7-9(3,11)5-4-6-10/h8,11H,4-5,7H2,1-3H3
InChIKeyQOAAFTOEVHORJO-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.09
Rot. Bonds4

About 4-hydroxy-4,6-dimethylheptanenitrile

4-hydroxy-4,6-dimethylheptanenitrile (PubChem CID 14900500) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-hydroxy-4,6-dimethylheptanenitrile.

Molecular Properties

Compound Name4-hydroxy-4,6-dimethylheptanenitrile
PubChem CID14900500
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-hydroxy-4,6-dimethylheptanenitrile
SMILESCC(C)CC(C)(O)CCC#N
InChIInChI=1S/C9H17NO/c1-8(2)7-9(3,11)5-4-6-10/h8,11H,4-5,7H2,1-3H3
InChIKeyQOAAFTOEVHORJO-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-hydroxy-2,4-dimethylpentyl)amino]propanenitrile
CID 66174666
5-hydroxy-5-methylhexanenitrile
CID 19885706
2-hydroxy-2-methylpentanedinitrile
CID 23346026
2,4-dimethylnonan-4-ol
CID 3018500
2-[(2-hydroxy-2,4-dimethylpentyl)amino]butanenitrile
CID 66180992
4-hydroxy-4,6-dimethylheptanoic acid
CID 66324059
4,4-dimethylpentanenitrile
CID 12656145
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858
9-hydroxy-4,4,7,7-tetramethylnonanenitrile
CID 166904994
4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451
5-(but-3-yn-2-ylamino)-4,4-dimethylpentanenitrile
CID 114415340
5-[(1-hydroxy-4-methylpentan-3-yl)amino]-4,4-dimethylpentanenitrile
CID 111469212

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,6-dimethylheptanenitrile?
The IUPAC name of 4-hydroxy-4,6-dimethylheptanenitrile (CID 14900500) is 4-hydroxy-4,6-dimethylheptanenitrile.
What is the SMILES notation for 4-hydroxy-4,6-dimethylheptanenitrile?
The canonical SMILES for 4-hydroxy-4,6-dimethylheptanenitrile is CC(C)CC(C)(O)CCC#N.
What is the InChIKey of 4-hydroxy-4,6-dimethylheptanenitrile?
The InChIKey is QOAAFTOEVHORJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)7-9(3,11)5-4-6-10/h8,11H,4-5,7H2,1-3H3.
What are the key properties of 4-hydroxy-4,6-dimethylheptanenitrile?
4-hydroxy-4,6-dimethylheptanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,6-dimethylheptanenitrile is sourced from PubChem (CID 14900500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).