(3E)-2-ethylsulfanylnona-1,3-diene

C11H20S — CID 24973966

IUPAC(3E)-2-ethylsulfanylnona-1,3-diene
SMILESC=C(/C=C/CCCCC)SCC
InChIInChI=1S/C11H20S/c1-4-6-7-8-9-10-11(3)12-5-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyGYHUQCWMEQXGGR-MDZDMXLPSA-N
MW184.35 g/mol
LogP4.39
Rot. Bonds7

About (3E)-2-ethylsulfanylnona-1,3-diene

(3E)-2-ethylsulfanylnona-1,3-diene (PubChem CID 24973966) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (3E)-2-ethylsulfanylnona-1,3-diene.

Molecular Properties

Compound Name(3E)-2-ethylsulfanylnona-1,3-diene
PubChem CID24973966
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(3E)-2-ethylsulfanylnona-1,3-diene
SMILESC=C(/C=C/CCCCC)SCC
InChIInChI=1S/C11H20S/c1-4-6-7-8-9-10-11(3)12-5-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyGYHUQCWMEQXGGR-MDZDMXLPSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-2-ethylsulfanylnona-1,3-diene 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 (3E)-2-ethylsulfanylnona-1,3-diene?
The IUPAC name of (3E)-2-ethylsulfanylnona-1,3-diene (CID 24973966) is (3E)-2-ethylsulfanylnona-1,3-diene.
What is the SMILES notation for (3E)-2-ethylsulfanylnona-1,3-diene?
The canonical SMILES for (3E)-2-ethylsulfanylnona-1,3-diene is C=C(/C=C/CCCCC)SCC.
What is the InChIKey of (3E)-2-ethylsulfanylnona-1,3-diene?
The InChIKey is GYHUQCWMEQXGGR-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20S/c1-4-6-7-8-9-10-11(3)12-5-2/h9-10H,3-8H2,1-2H3/b10-9+.
What are the key properties of (3E)-2-ethylsulfanylnona-1,3-diene?
(3E)-2-ethylsulfanylnona-1,3-diene has a molecular weight of 184.35 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-ethylsulfanylnona-1,3-diene is sourced from PubChem (CID 24973966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).