(2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile

C18H29N — CID 130452412

IUPAC(2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile
SMILESCC/C(C#N)=C\C(=C/C(C)CC)C1(CC)CCCC1
InChIInChI=1S/C18H29N/c1-5-15(4)12-17(13-16(6-2)14-19)18(7-3)10-8-9-11-18/h12-13,15H,5-11H2,1-4H3/b16-13+,17-12+
InChIKeyAAICLYYQASUZSL-JSHGDNENSA-N
MW259.44 g/mol
LogP5.79
Rot. Bonds6

About (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile

(2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile (PubChem CID 130452412) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile
PubChem CID130452412
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile
SMILESCC/C(C#N)=C\C(=C/C(C)CC)C1(CC)CCCC1
InChIInChI=1S/C18H29N/c1-5-15(4)12-17(13-16(6-2)14-19)18(7-3)10-8-9-11-18/h12-13,15H,5-11H2,1-4H3/b16-13+,17-12+
InChIKeyAAICLYYQASUZSL-JSHGDNENSA-N
XLogP5.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile (CID 130452412) is (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile is CC/C(C#N)=C\C(=C/C(C)CC)C1(CC)CCCC1.
What is the InChIKey of (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile?
The InChIKey is AAICLYYQASUZSL-JSHGDNENSA-N. The full InChI is InChI=1S/C18H29N/c1-5-15(4)12-17(13-16(6-2)14-19)18(7-3)10-8-9-11-18/h12-13,15H,5-11H2,1-4H3/b16-13+,17-12+.
What are the key properties of (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile?
(2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile has a molecular weight of 259.44 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethyl-4-(1-ethylcyclopentyl)-6-methylocta-2,4-dienenitrile is sourced from PubChem (CID 130452412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).