5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile

C9H15NO — CID 22933772

IUPAC5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile
SMILESCC1(C)CCC(O)CC1C#N
InChIInChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h7-8,11H,3-5H2,1-2H3
InChIKeyVQPVLTFJYJAKIP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.70
Rot. Bonds

About 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile

5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile (PubChem CID 22933772) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile
PubChem CID22933772
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile
SMILESCC1(C)CCC(O)CC1C#N
InChIInChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h7-8,11H,3-5H2,1-2H3
InChIKeyVQPVLTFJYJAKIP-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile (CID 22933772) is 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile is CC1(C)CCC(O)CC1C#N.
What is the InChIKey of 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile?
The InChIKey is VQPVLTFJYJAKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h7-8,11H,3-5H2,1-2H3.
What are the key properties of 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile?
5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile has a molecular weight of 153.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 22933772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).