3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile

C14H23NO — CID 65401037

IUPAC3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)(CC2CCCO2)C1
InChIInChI=1S/C14H23NO/c1-2-12-5-3-7-14(9-12,11-15)10-13-6-4-8-16-13/h12-13H,2-10H2,1H3
InChIKeyJLVVSVQOOONVHD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.67
Rot. Bonds3

About 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile

3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile (PubChem CID 65401037) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
PubChem CID65401037
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
SMILESCCC1CCCC(C#N)(CC2CCCO2)C1
InChIInChI=1S/C14H23NO/c1-2-12-5-3-7-14(9-12,11-15)10-13-6-4-8-16-13/h12-13H,2-10H2,1H3
InChIKeyJLVVSVQOOONVHD-UHFFFAOYSA-N
XLogP3.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 114349722
3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65149276
(2R)-2-ethyloxolane
CID 641529
1-[(5-chloro-2-fluorophenyl)methyl]-3-ethylcyclohexane-1-carbonitrile
CID 103051023
azane;2-ethyloxolane
CID 174465001
3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile
CID 103017320
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
3-ethyl-1-[2-[4-(4-pentylphenyl)phenyl]ethyl]cyclohexane-1-carbonitrile
CID 19800769
1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 106495474
3-ethyl-1-(4-hydroxy-2-propan-2-yloxan-4-yl)cyclohexane-1-carbonitrile
CID 79132162
2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile (CID 65401037) is 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile is CCC1CCCC(C#N)(CC2CCCO2)C1.
What is the InChIKey of 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
The InChIKey is JLVVSVQOOONVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-12-5-3-7-14(9-12,11-15)10-13-6-4-8-16-13/h12-13H,2-10H2,1H3.
What are the key properties of 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile has a molecular weight of 221.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 65401037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).