2-methoxycyclohex-2-ene-1,4-dione

C7H8O3 — CID 5314324

IUPAC2-methoxycyclohex-2-ene-1,4-dione
SMILESCOC1=CC(=O)CCC1=O
InChIInChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h4H,2-3H2,1H3
InChIKeyGYBDMPJFPFQEQD-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.45
Rot. Bonds1

About 2-methoxycyclohex-2-ene-1,4-dione

2-methoxycyclohex-2-ene-1,4-dione (PubChem CID 5314324) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-methoxycyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name2-methoxycyclohex-2-ene-1,4-dione
PubChem CID5314324
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-methoxycyclohex-2-ene-1,4-dione
SMILESCOC1=CC(=O)CCC1=O
InChIInChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h4H,2-3H2,1H3
InChIKeyGYBDMPJFPFQEQD-UHFFFAOYSA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohex-2-ene-1,4-dione?
The IUPAC name of 2-methoxycyclohex-2-ene-1,4-dione (CID 5314324) is 2-methoxycyclohex-2-ene-1,4-dione.
What is the SMILES notation for 2-methoxycyclohex-2-ene-1,4-dione?
The canonical SMILES for 2-methoxycyclohex-2-ene-1,4-dione is COC1=CC(=O)CCC1=O.
What is the InChIKey of 2-methoxycyclohex-2-ene-1,4-dione?
The InChIKey is GYBDMPJFPFQEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h4H,2-3H2,1H3.
What are the key properties of 2-methoxycyclohex-2-ene-1,4-dione?
2-methoxycyclohex-2-ene-1,4-dione has a molecular weight of 140.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohex-2-ene-1,4-dione is sourced from PubChem (CID 5314324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).