5-ethylnona-1,5-diene

C11H20 — CID 54516473

IUPAC5-ethylnona-1,5-diene
SMILESC=CCCC(=CCCC)CC
InChIInChI=1S/C11H20/c1-4-7-9-11(6-3)10-8-5-2/h4,10H,1,5-9H2,2-3H3
InChIKeyYMTSMAVLNOIRCY-UHFFFAOYSA-N
MW152.28 g/mol
LogP4.09
Rot. Bonds6

About 5-ethylnona-1,5-diene

5-ethylnona-1,5-diene (PubChem CID 54516473) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5-ethylnona-1,5-diene.

Molecular Properties

Compound Name5-ethylnona-1,5-diene
PubChem CID54516473
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5-ethylnona-1,5-diene
SMILESC=CCCC(=CCCC)CC
InChIInChI=1S/C11H20/c1-4-7-9-11(6-3)10-8-5-2/h4,10H,1,5-9H2,2-3H3
InChIKeyYMTSMAVLNOIRCY-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5-ethylnona-1,5-diene?
The IUPAC name of 5-ethylnona-1,5-diene (CID 54516473) is 5-ethylnona-1,5-diene.
What is the SMILES notation for 5-ethylnona-1,5-diene?
The canonical SMILES for 5-ethylnona-1,5-diene is C=CCCC(=CCCC)CC.
What is the InChIKey of 5-ethylnona-1,5-diene?
The InChIKey is YMTSMAVLNOIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-7-9-11(6-3)10-8-5-2/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 5-ethylnona-1,5-diene?
5-ethylnona-1,5-diene has a molecular weight of 152.28 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylnona-1,5-diene is sourced from PubChem (CID 54516473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).