1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile

C11H19NO2 — CID 103375901

IUPAC1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile
SMILESCC1(C)CCC(C#N)(OCCO)CC1
InChIInChI=1S/C11H19NO2/c1-10(2)3-5-11(9-12,6-4-10)14-8-7-13/h13H,3-8H2,1-2H3
InChIKeyPZIGZUHEMLELGQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile

1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile (PubChem CID 103375901) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile
PubChem CID103375901
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile
SMILESCC1(C)CCC(C#N)(OCCO)CC1
InChIInChI=1S/C11H19NO2/c1-10(2)3-5-11(9-12,6-4-10)14-8-7-13/h13H,3-8H2,1-2H3
InChIKeyPZIGZUHEMLELGQ-UHFFFAOYSA-N
XLogP1.86
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropoxy)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 103376662
1-(3-hydroxypropoxy)cyclooctane-1-carbonitrile
CID 103376575
1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile
CID 80698814
4-ethyl-1-(3-hydroxypropoxy)cycloheptane-1-carbonitrile
CID 103376556
1-(2-methoxyethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390369
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65389777
1-(3-methoxypropyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392157
2-[2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethoxy]propanenitrile
CID 114266152
1-(1-hydroxy-3-methoxy-2-methylpropyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116503423
2-(3-ethynyloxetan-3-yl)oxyethanol
CID 162406277
1-(cyanomethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 10725971
2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol
CID 138550493

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile (CID 103375901) is 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile is CC1(C)CCC(C#N)(OCCO)CC1.
What is the InChIKey of 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile?
The InChIKey is PZIGZUHEMLELGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)3-5-11(9-12,6-4-10)14-8-7-13/h13H,3-8H2,1-2H3.
What are the key properties of 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile?
1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 103375901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).