5-ethoxycyclohex-2-ene-1,4-dione

C8H10O3 — CID 70178664

IUPAC5-ethoxycyclohex-2-ene-1,4-dione
SMILESCCOC1CC(=O)C=CC1=O
InChIInChI=1S/C8H10O3/c1-2-11-8-5-6(9)3-4-7(8)10/h3-4,8H,2,5H2,1H3
InChIKeyJHIYJEMVQZGPDG-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.49
Rot. Bonds2

About 5-ethoxycyclohex-2-ene-1,4-dione

5-ethoxycyclohex-2-ene-1,4-dione (PubChem CID 70178664) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 5-ethoxycyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5-ethoxycyclohex-2-ene-1,4-dione
PubChem CID70178664
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name5-ethoxycyclohex-2-ene-1,4-dione
SMILESCCOC1CC(=O)C=CC1=O
InChIInChI=1S/C8H10O3/c1-2-11-8-5-6(9)3-4-7(8)10/h3-4,8H,2,5H2,1H3
InChIKeyJHIYJEMVQZGPDG-UHFFFAOYSA-N
XLogP0.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxycyclohex-2-ene-1,4-dione?
The IUPAC name of 5-ethoxycyclohex-2-ene-1,4-dione (CID 70178664) is 5-ethoxycyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5-ethoxycyclohex-2-ene-1,4-dione?
The canonical SMILES for 5-ethoxycyclohex-2-ene-1,4-dione is CCOC1CC(=O)C=CC1=O.
What is the InChIKey of 5-ethoxycyclohex-2-ene-1,4-dione?
The InChIKey is JHIYJEMVQZGPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-11-8-5-6(9)3-4-7(8)10/h3-4,8H,2,5H2,1H3.
What are the key properties of 5-ethoxycyclohex-2-ene-1,4-dione?
5-ethoxycyclohex-2-ene-1,4-dione has a molecular weight of 154.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycyclohex-2-ene-1,4-dione is sourced from PubChem (CID 70178664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).