(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one

C14H12O2 — CID 101360604

IUPAC(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one
SMILESCC1=C/C(=C2/C=C(C)C=CC2=O)C(=O)C=C1
InChIInChI=1S/C14H12O2/c1-9-3-5-13(15)11(7-9)12-8-10(2)4-6-14(12)16/h3-8H,1-2H3/b12-11+
InChIKeyZQLDXZMJDJNCJB-VAWYXSNFSA-N
MW212.25 g/mol
LogP2.45
Rot. Bonds

About (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one

(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one (PubChem CID 101360604) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one
PubChem CID101360604
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one
SMILESCC1=C/C(=C2/C=C(C)C=CC2=O)C(=O)C=C1
InChIInChI=1S/C14H12O2/c1-9-3-5-13(15)11(7-9)12-8-10(2)4-6-14(12)16/h3-8H,1-2H3/b12-11+
InChIKeyZQLDXZMJDJNCJB-VAWYXSNFSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
The IUPAC name of (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one (CID 101360604) is (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
The canonical SMILES for (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one is CC1=C/C(=C2/C=C(C)C=CC2=O)C(=O)C=C1.
What is the InChIKey of (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
The InChIKey is ZQLDXZMJDJNCJB-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H12O2/c1-9-3-5-13(15)11(7-9)12-8-10(2)4-6-14(12)16/h3-8H,1-2H3/b12-11+.
What are the key properties of (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one?
(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 101360604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).