5-ethyloctan-3-ylidenecyclopropane

C13H24 — CID 91162099

IUPAC5-ethyloctan-3-ylidenecyclopropane
SMILESCCCC(CC)CC(CC)=C1CC1
InChIInChI=1S/C13H24/c1-4-7-11(5-2)10-12(6-3)13-8-9-13/h11H,4-10H2,1-3H3
InChIKeyGWOWWVNOJXVAQZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds6

About 5-ethyloctan-3-ylidenecyclopropane

5-ethyloctan-3-ylidenecyclopropane (PubChem CID 91162099) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5-ethyloctan-3-ylidenecyclopropane.

Molecular Properties

Compound Name5-ethyloctan-3-ylidenecyclopropane
PubChem CID91162099
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5-ethyloctan-3-ylidenecyclopropane
SMILESCCCC(CC)CC(CC)=C1CC1
InChIInChI=1S/C13H24/c1-4-7-11(5-2)10-12(6-3)13-8-9-13/h11H,4-10H2,1-3H3
InChIKeyGWOWWVNOJXVAQZ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
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-ethyloctan-3-ylidenecyclopropane?
The IUPAC name of 5-ethyloctan-3-ylidenecyclopropane (CID 91162099) is 5-ethyloctan-3-ylidenecyclopropane.
What is the SMILES notation for 5-ethyloctan-3-ylidenecyclopropane?
The canonical SMILES for 5-ethyloctan-3-ylidenecyclopropane is CCCC(CC)CC(CC)=C1CC1.
What is the InChIKey of 5-ethyloctan-3-ylidenecyclopropane?
The InChIKey is GWOWWVNOJXVAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-7-11(5-2)10-12(6-3)13-8-9-13/h11H,4-10H2,1-3H3.
What are the key properties of 5-ethyloctan-3-ylidenecyclopropane?
5-ethyloctan-3-ylidenecyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyloctan-3-ylidenecyclopropane is sourced from PubChem (CID 91162099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).