(4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one

C18H18O5 — CID 23542919

IUPAC(4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=C\C=C2C=C(OC)C(=O)C(OC)=C2)C=C(C)C1=O
InChIInChI=1S/C18H18O5/c1-11-7-12(8-14(21-2)17(11)19)5-6-13-9-15(22-3)18(20)16(10-13)23-4/h5-10H,1-4H3/b12-5-
InChIKeyCQVMCWLYDIUDSJ-XGICHPGQSA-N
MW314.34 g/mol
LogP2.54
Rot. Bonds4

About (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one

(4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one (PubChem CID 23542919) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one
PubChem CID23542919
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one
SMILESCOC1=C/C(=C\C=C2C=C(OC)C(=O)C(OC)=C2)C=C(C)C1=O
InChIInChI=1S/C18H18O5/c1-11-7-12(8-14(21-2)17(11)19)5-6-13-9-15(22-3)18(20)16(10-13)23-4/h5-10H,1-4H3/b12-5-
InChIKeyCQVMCWLYDIUDSJ-XGICHPGQSA-N
XLogP2.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one (CID 23542919) is (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one is COC1=C/C(=C\C=C2C=C(OC)C(=O)C(OC)=C2)C=C(C)C1=O.
What is the InChIKey of (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one?
The InChIKey is CQVMCWLYDIUDSJ-XGICHPGQSA-N. The full InChI is InChI=1S/C18H18O5/c1-11-7-12(8-14(21-2)17(11)19)5-6-13-9-15(22-3)18(20)16(10-13)23-4/h5-10H,1-4H3/b12-5-.
What are the key properties of (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one?
(4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one has a molecular weight of 314.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 23542919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).