cyclohexa-2,5-diene-1,4-dione;methoxymethane

C8H10O3 — CID 66691489

IUPACcyclohexa-2,5-diene-1,4-dione;methoxymethane
SMILESCOC.O=C1C=CC(=O)C=C1
InChIInChI=1S/C6H4O2.C2H6O/c7-5-1-2-6(8)4-3-5;1-3-2/h1-4H;1-2H3
InChIKeyFAKBPVAVIJLFBE-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.51
Rot. Bonds

About cyclohexa-2,5-diene-1,4-dione;methoxymethane

cyclohexa-2,5-diene-1,4-dione;methoxymethane (PubChem CID 66691489) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is cyclohexa-2,5-diene-1,4-dione;methoxymethane.

Molecular Properties

Compound Namecyclohexa-2,5-diene-1,4-dione;methoxymethane
PubChem CID66691489
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namecyclohexa-2,5-diene-1,4-dione;methoxymethane
SMILESCOC.O=C1C=CC(=O)C=C1
InChIInChI=1S/C6H4O2.C2H6O/c7-5-1-2-6(8)4-3-5;1-3-2/h1-4H;1-2H3
InChIKeyFAKBPVAVIJLFBE-UHFFFAOYSA-N
XLogP0.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

Quinone
CID 4650
(3E,5E)-Octadien-2-one
CID 6434070
3-Hexene-2,5-dione
CID 13177
3-Hexene-2,5-dione, (Z)-
CID 5354485
(E)-hex-3-ene-2,5-dione
CID 5363639
2,5-Cyclohexadiene-1,4-dione-2,3,5,6-d4
CID 12200666
2,5-Cyclohexadien-1-one, 4,4-dimethyl-
CID 556333
4-Methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 687255
(E)-oct-4-ene-3,6-dione
CID 11571813
Methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
CID 11357107
6-Nonadien-5-one
CID 11815429
2-Deuteriocyclohexa-2,5-diene-1,4-dione
CID 12200662

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,5-diene-1,4-dione;methoxymethane?
The IUPAC name of cyclohexa-2,5-diene-1,4-dione;methoxymethane (CID 66691489) is cyclohexa-2,5-diene-1,4-dione;methoxymethane.
What is the SMILES notation for cyclohexa-2,5-diene-1,4-dione;methoxymethane?
The canonical SMILES for cyclohexa-2,5-diene-1,4-dione;methoxymethane is COC.O=C1C=CC(=O)C=C1.
What is the InChIKey of cyclohexa-2,5-diene-1,4-dione;methoxymethane?
The InChIKey is FAKBPVAVIJLFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2.C2H6O/c7-5-1-2-6(8)4-3-5;1-3-2/h1-4H;1-2H3.
What are the key properties of cyclohexa-2,5-diene-1,4-dione;methoxymethane?
cyclohexa-2,5-diene-1,4-dione;methoxymethane has a molecular weight of 154.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,5-diene-1,4-dione;methoxymethane is sourced from PubChem (CID 66691489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).