[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate

C14H12O6 — CID 139783788

IUPAC[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=C(OC(=O)C(=C)C)C(=O)C=CC1=O
InChIInChI=1S/C14H12O6/c1-7(2)13(17)19-11-9(15)5-6-10(16)12(11)20-14(18)8(3)4/h5-6H,1,3H2,2,4H3
InChIKeyVWXYNZZNDMCAFT-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.14
Rot. Bonds4

About [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate (PubChem CID 139783788) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate
PubChem CID139783788
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=C(OC(=O)C(=C)C)C(=O)C=CC1=O
InChIInChI=1S/C14H12O6/c1-7(2)13(17)19-11-9(15)5-6-10(16)12(11)20-14(18)8(3)4/h5-6H,1,3H2,2,4H3
InChIKeyVWXYNZZNDMCAFT-UHFFFAOYSA-N
XLogP1.14
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-acetyloxy-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate
CID 139619204
(2-methylpentalen-1-yl) 2-methylprop-2-enoate
CID 164546711
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
(2,3-dimethylpentalen-1-yl) 2-methylprop-2-enoate
CID 164546607
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
CID 19360927
[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate
CID 143953930
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
CID 162497593
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate (CID 139783788) is [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1=C(OC(=O)C(=C)C)C(=O)C=CC1=O.
What is the InChIKey of [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate?
The InChIKey is VWXYNZZNDMCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-7(2)13(17)19-11-9(15)5-6-10(16)12(11)20-14(18)8(3)4/h5-6H,1,3H2,2,4H3.
What are the key properties of [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate has a molecular weight of 276.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 139783788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).