6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene

C20H22O2 — CID 131710320

IUPAC6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene
SMILESC=CC1CC=CCC1.Cc1cc2c(cc1C)C(=O)C=CC2=O
InChIInChI=1S/C12H10O2.C8H12/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13;1-2-8-6-4-3-5-7-8/h3-6H,1-2H3;2-4,8H,1,5-7H2
InChIKeyJFJXTBIWVFNTAP-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.77
Rot. Bonds1

About 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene

6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene (PubChem CID 131710320) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene.

Molecular Properties

Compound Name6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene
PubChem CID131710320
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene
SMILESC=CC1CC=CCC1.Cc1cc2c(cc1C)C(=O)C=CC2=O
InChIInChI=1S/C12H10O2.C8H12/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13;1-2-8-6-4-3-5-7-8/h3-6H,1-2H3;2-4,8H,1,5-7H2
InChIKeyJFJXTBIWVFNTAP-UHFFFAOYSA-N
XLogP4.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene?
The IUPAC name of 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene (CID 131710320) is 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene.
What is the SMILES notation for 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene?
The canonical SMILES for 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene is C=CC1CC=CCC1.Cc1cc2c(cc1C)C(=O)C=CC2=O.
What is the InChIKey of 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene?
The InChIKey is JFJXTBIWVFNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C8H12/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13;1-2-8-6-4-3-5-7-8/h3-6H,1-2H3;2-4,8H,1,5-7H2.
What are the key properties of 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene?
6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene has a molecular weight of 294.39 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylnaphthalene-1,4-dione;4-ethenylcyclohexene is sourced from PubChem (CID 131710320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).