4-ethoxycyclooctene

C10H18O — CID 71334110

IUPAC4-ethoxycyclooctene
SMILESCCOC1CC=CCCCC1
InChIInChI=1S/C10H18O/c1-2-11-10-8-6-4-3-5-7-9-10/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyNOKACTIXIYHMCQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds2

About 4-ethoxycyclooctene

4-ethoxycyclooctene (PubChem CID 71334110) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-ethoxycyclooctene.

Molecular Properties

Compound Name4-ethoxycyclooctene
PubChem CID71334110
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-ethoxycyclooctene
SMILESCCOC1CC=CCCCC1
InChIInChI=1S/C10H18O/c1-2-11-10-8-6-4-3-5-7-9-10/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyNOKACTIXIYHMCQ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-ethoxycyclooctene?
The IUPAC name of 4-ethoxycyclooctene (CID 71334110) is 4-ethoxycyclooctene.
What is the SMILES notation for 4-ethoxycyclooctene?
The canonical SMILES for 4-ethoxycyclooctene is CCOC1CC=CCCCC1.
What is the InChIKey of 4-ethoxycyclooctene?
The InChIKey is NOKACTIXIYHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-11-10-8-6-4-3-5-7-9-10/h4,6,10H,2-3,5,7-9H2,1H3.
What are the key properties of 4-ethoxycyclooctene?
4-ethoxycyclooctene has a molecular weight of 154.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycyclooctene is sourced from PubChem (CID 71334110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).