2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile

C12H21NO — CID 43292750

IUPAC2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)OC1CCCCC1C#N
InChIInChI=1S/C12H21NO/c1-4-12(2,3)14-11-8-6-5-7-10(11)9-13/h10-11H,4-8H2,1-3H3
InChIKeyAWRYMTDKPRJCBO-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.27
Rot. Bonds3

About 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile

2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile (PubChem CID 43292750) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile
PubChem CID43292750
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)OC1CCCCC1C#N
InChIInChI=1S/C12H21NO/c1-4-12(2,3)14-11-8-6-5-7-10(11)9-13/h10-11H,4-8H2,1-3H3
InChIKeyAWRYMTDKPRJCBO-UHFFFAOYSA-N
XLogP3.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propoxycyclohexane-1-carbonitrile
CID 43292927
2-(2-methylbutan-2-yloxy)cyclopentan-1-amine
CID 43127801
2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 82239692
[(1R,2S)-2-cyanocyclopentyl] propanoate
CID 124660836
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
CID 43292510
2-(3-ethylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 65039485
2-(3-methoxypropoxy)cyclopentane-1-carbonitrile
CID 114995829
2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 114941959
2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
CID 43292822
4-tert-butyl-2-ethoxycyclohexane-1-carbonitrile
CID 43292132
2-(3,5-dimethoxyphenoxy)cyclohexane-1-carbonitrile
CID 43589877

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile (CID 43292750) is 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile is CCC(C)(C)OC1CCCCC1C#N.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile?
The InChIKey is AWRYMTDKPRJCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-12(2,3)14-11-8-6-5-7-10(11)9-13/h10-11H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile?
2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43292750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).