5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene

C22H42O — CID 169101469

IUPAC5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene
SMILESCCCCC(CC)CC=C(C)OC(C)=CCC(CC)CCCC
InChIInChI=1S/C22H42O/c1-7-11-13-21(9-3)17-15-19(5)23-20(6)16-18-22(10-4)14-12-8-2/h15-16,21-22H,7-14,17-18H2,1-6H3
InChIKeyLPMVTVPISYLQIP-UHFFFAOYSA-N
MW322.58 g/mol
LogP8.02
Rot. Bonds14

About 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene

5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene (PubChem CID 169101469) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene.

Molecular Properties

Compound Name5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene
PubChem CID169101469
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene
SMILESCCCCC(CC)CC=C(C)OC(C)=CCC(CC)CCCC
InChIInChI=1S/C22H42O/c1-7-11-13-21(9-3)17-15-19(5)23-20(6)16-18-22(10-4)14-12-8-2/h15-16,21-22H,7-14,17-18H2,1-6H3
InChIKeyLPMVTVPISYLQIP-UHFFFAOYSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene 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 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene?
The IUPAC name of 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene (CID 169101469) is 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene.
What is the SMILES notation for 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene?
The canonical SMILES for 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene is CCCCC(CC)CC=C(C)OC(C)=CCC(CC)CCCC.
What is the InChIKey of 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene?
The InChIKey is LPMVTVPISYLQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-7-11-13-21(9-3)17-15-19(5)23-20(6)16-18-22(10-4)14-12-8-2/h15-16,21-22H,7-14,17-18H2,1-6H3.
What are the key properties of 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene?
5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene has a molecular weight of 322.58 g/mol, XLogP of 8.02, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(5-ethylnon-2-en-2-yloxy)non-2-ene is sourced from PubChem (CID 169101469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).