4-ethylnon-3-en-5-yne

C11H18 — CID 564545

IUPAC4-ethylnon-3-en-5-yne
SMILESCCC=C(C#CCCC)CC
InChIInChI=1S/C11H18/c1-4-7-8-10-11(6-3)9-5-2/h9H,4-7H2,1-3H3
InChIKeyWINAGOYHXUXSTM-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.54
Rot. Bonds3

About 4-ethylnon-3-en-5-yne

4-ethylnon-3-en-5-yne (PubChem CID 564545) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 4-ethylnon-3-en-5-yne.

Molecular Properties

Compound Name4-ethylnon-3-en-5-yne
PubChem CID564545
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name4-ethylnon-3-en-5-yne
SMILESCCC=C(C#CCCC)CC
InChIInChI=1S/C11H18/c1-4-7-8-10-11(6-3)9-5-2/h9H,4-7H2,1-3H3
InChIKeyWINAGOYHXUXSTM-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-ethylnon-3-en-5-yne 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 4-ethylnon-3-en-5-yne?
The IUPAC name of 4-ethylnon-3-en-5-yne (CID 564545) is 4-ethylnon-3-en-5-yne.
What is the SMILES notation for 4-ethylnon-3-en-5-yne?
The canonical SMILES for 4-ethylnon-3-en-5-yne is CCC=C(C#CCCC)CC.
What is the InChIKey of 4-ethylnon-3-en-5-yne?
The InChIKey is WINAGOYHXUXSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-7-8-10-11(6-3)9-5-2/h9H,4-7H2,1-3H3.
What are the key properties of 4-ethylnon-3-en-5-yne?
4-ethylnon-3-en-5-yne has a molecular weight of 150.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnon-3-en-5-yne is sourced from PubChem (CID 564545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).