4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile

C16H19NO — CID 18651101

IUPAC4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
SMILESC=COCC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H19NO/c1-2-18-12-14-5-9-16(10-6-14)15-7-3-13(11-17)4-8-15/h2-4,7-8,14,16H,1,5-6,9-10,12H2
InChIKeyFSDGPRRWLGNSBS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.99
Rot. Bonds4

About 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile

4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile (PubChem CID 18651101) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
PubChem CID18651101
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
SMILESC=COCC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H19NO/c1-2-18-12-14-5-9-16(10-6-14)15-7-3-13(11-17)4-8-15/h2-4,7-8,14,16H,1,5-6,9-10,12H2
InChIKeyFSDGPRRWLGNSBS-UHFFFAOYSA-N
XLogP3.99
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-ethenoxypropyl)cyclohexyl]benzonitrile
CID 18651102
4-[4-(but-3-enoxymethyl)cyclohexyl]benzonitrile
CID 15051351
4-[4-(pent-4-enoxymethyl)cyclohexyl]benzonitrile
CID 18651078
4-(4-prop-2-enoxycyclohexyl)benzonitrile
CID 15051352
4-[4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]cyclohexyl]benzonitrile
CID 70442568
4-[4-(2,2-dimethylpropyl)cyclohexyl]benzonitrile
CID 66584989
4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile
CID 54020861
4-[4-[[(E)-oct-3-enoxy]methyl]cyclohexyl]benzonitrile
CID 19768986
(E)-4-[4-(4-cyanophenyl)cyclohexyl]but-2-enoic acid
CID 67642976
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
4-[4-(3-hept-4-enoxypropyl)cyclohexyl]benzonitrile
CID 54041694
4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 139659671

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile?
The IUPAC name of 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile (CID 18651101) is 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile?
The canonical SMILES for 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile is C=COCC1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile?
The InChIKey is FSDGPRRWLGNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-18-12-14-5-9-16(10-6-14)15-7-3-13(11-17)4-8-15/h2-4,7-8,14,16H,1,5-6,9-10,12H2.
What are the key properties of 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile?
4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile has a molecular weight of 241.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile is sourced from PubChem (CID 18651101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).