4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile

C17H27NO — CID 43292824

IUPAC4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(OCC2CC=CCC2C)C1
InChIInChI=1S/C17H27NO/c1-3-14-8-9-15(11-18)17(10-14)19-12-16-7-5-4-6-13(16)2/h4-5,13-17H,3,6-10,12H2,1-2H3
InChIKeyCJNIJNVXEQLJTE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.32
Rot. Bonds4

About 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile

4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile (PubChem CID 43292824) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
PubChem CID43292824
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(OCC2CC=CCC2C)C1
InChIInChI=1S/C17H27NO/c1-3-14-8-9-15(11-18)17(10-14)19-12-16-7-5-4-6-13(16)2/h4-5,13-17H,3,6-10,12H2,1-2H3
InChIKeyCJNIJNVXEQLJTE-UHFFFAOYSA-N
XLogP4.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile (CID 43292824) is 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(OCC2CC=CCC2C)C1.
What is the InChIKey of 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
The InChIKey is CJNIJNVXEQLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-9-15(11-18)17(10-14)19-12-16-7-5-4-6-13(16)2/h4-5,13-17H,3,6-10,12H2,1-2H3.
What are the key properties of 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile has a molecular weight of 261.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43292824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).