(6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one

C16H16O6 — CID 13068638

IUPAC(6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC(=O)/C(=C2\C=C(OC)C(OC)=CC2=O)C=C1OC
InChIInChI=1S/C16H16O6/c1-19-13-5-9(11(17)7-15(13)21-3)10-6-14(20-2)16(22-4)8-12(10)18/h5-8H,1-4H3/b10-9+
InChIKeyIVNDLVYBJZCYGE-MDZDMXLPSA-N
MW304.30 g/mol
LogP1.57
Rot. Bonds4

About (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one

(6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one (PubChem CID 13068638) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one
PubChem CID13068638
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC(=O)/C(=C2\C=C(OC)C(OC)=CC2=O)C=C1OC
InChIInChI=1S/C16H16O6/c1-19-13-5-9(11(17)7-15(13)21-3)10-6-14(20-2)16(22-4)8-12(10)18/h5-8H,1-4H3/b10-9+
InChIKeyIVNDLVYBJZCYGE-MDZDMXLPSA-N
XLogP1.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one?
The IUPAC name of (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one (CID 13068638) is (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one is COC1=CC(=O)/C(=C2\C=C(OC)C(OC)=CC2=O)C=C1OC.
What is the InChIKey of (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one?
The InChIKey is IVNDLVYBJZCYGE-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16O6/c1-19-13-5-9(11(17)7-15(13)21-3)10-6-14(20-2)16(22-4)8-12(10)18/h5-8H,1-4H3/b10-9+.
What are the key properties of (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one?
(6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one has a molecular weight of 304.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(3,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dimethoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 13068638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).