(4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

C16H14O2 — CID 23542913

IUPAC(4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=C/C=C2\C=CC(=O)C(C)=C2)C=CC1=O
InChIInChI=1S/C16H14O2/c1-11-9-13(5-7-15(11)17)3-4-14-6-8-16(18)12(2)10-14/h3-10H,1-2H3/b13-3+,14-4+
InChIKeyMAXTXRBGLVALAN-NPJRDEIVSA-N
MW238.29 g/mol
LogP3.01
Rot. Bonds1

About (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

(4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 23542913) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID23542913
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=C/C=C2\C=CC(=O)C(C)=C2)C=CC1=O
InChIInChI=1S/C16H14O2/c1-11-9-13(5-7-15(11)17)3-4-14-6-8-16(18)12(2)10-14/h3-10H,1-2H3/b13-3+,14-4+
InChIKeyMAXTXRBGLVALAN-NPJRDEIVSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 23542913) is (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is CC1=C/C(=C/C=C2\C=CC(=O)C(C)=C2)C=CC1=O.
What is the InChIKey of (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is MAXTXRBGLVALAN-NPJRDEIVSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-9-13(5-7-15(11)17)3-4-14-6-8-16(18)12(2)10-14/h3-10H,1-2H3/b13-3+,14-4+.
What are the key properties of (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
(4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 23542913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).