(E)-2-ethyl-8-phenylnon-4-enenitrile;methane

C23H47N — CID 160671752

IUPAC(E)-2-ethyl-8-phenylnon-4-enenitrile;methane
SMILESC.C.C.C.C.C.CCC(C#N)C/C=C/CCC(C)c1ccccc1
InChIInChI=1S/C17H23N.6CH4/c1-3-16(14-18)11-7-4-6-10-15(2)17-12-8-5-9-13-17;;;;;;/h4-5,7-9,12-13,15-16H,3,6,10-11H2,1-2H3;6*1H4/b7-4+;;;;;;
InChIKeyRNAAVKMILPLQGB-IFAMVKFDSA-N
MW337.64 g/mol
LogP8.88
Rot. Bonds7

About (E)-2-ethyl-8-phenylnon-4-enenitrile;methane

(E)-2-ethyl-8-phenylnon-4-enenitrile;methane (PubChem CID 160671752) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is (E)-2-ethyl-8-phenylnon-4-enenitrile;methane.

Molecular Properties

Compound Name(E)-2-ethyl-8-phenylnon-4-enenitrile;methane
PubChem CID160671752
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name(E)-2-ethyl-8-phenylnon-4-enenitrile;methane
SMILESC.C.C.C.C.C.CCC(C#N)C/C=C/CCC(C)c1ccccc1
InChIInChI=1S/C17H23N.6CH4/c1-3-16(14-18)11-7-4-6-10-15(2)17-12-8-5-9-13-17;;;;;;/h4-5,7-9,12-13,15-16H,3,6,10-11H2,1-2H3;6*1H4/b7-4+;;;;;;
InChIKeyRNAAVKMILPLQGB-IFAMVKFDSA-N
XLogP8.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-2-ethyl-8-phenylnon-4-enenitrile;methane?
The IUPAC name of (E)-2-ethyl-8-phenylnon-4-enenitrile;methane (CID 160671752) is (E)-2-ethyl-8-phenylnon-4-enenitrile;methane.
What is the SMILES notation for (E)-2-ethyl-8-phenylnon-4-enenitrile;methane?
The canonical SMILES for (E)-2-ethyl-8-phenylnon-4-enenitrile;methane is C.C.C.C.C.C.CCC(C#N)C/C=C/CCC(C)c1ccccc1.
What is the InChIKey of (E)-2-ethyl-8-phenylnon-4-enenitrile;methane?
The InChIKey is RNAAVKMILPLQGB-IFAMVKFDSA-N. The full InChI is InChI=1S/C17H23N.6CH4/c1-3-16(14-18)11-7-4-6-10-15(2)17-12-8-5-9-13-17;;;;;;/h4-5,7-9,12-13,15-16H,3,6,10-11H2,1-2H3;6*1H4/b7-4+;;;;;;.
What are the key properties of (E)-2-ethyl-8-phenylnon-4-enenitrile;methane?
(E)-2-ethyl-8-phenylnon-4-enenitrile;methane has a molecular weight of 337.64 g/mol, XLogP of 8.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-8-phenylnon-4-enenitrile;methane is sourced from PubChem (CID 160671752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).