5,6-dimethylcyclobuta[b]naphthalene-1,2-dione

C14H10O2 — CID 10608506

IUPAC5,6-dimethylcyclobuta[b]naphthalene-1,2-dione
SMILESCc1cc2cc3c(=O)c(=O)c3cc2cc1C
InChIInChI=1S/C14H10O2/c1-7-3-9-5-11-12(14(16)13(11)15)6-10(9)4-8(7)2/h3-6H,1-2H3
InChIKeyHQJPWVZMRNBBIE-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.21
Rot. Bonds

About 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione

5,6-dimethylcyclobuta[b]naphthalene-1,2-dione (PubChem CID 10608506) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione.

Molecular Properties

Compound Name5,6-dimethylcyclobuta[b]naphthalene-1,2-dione
PubChem CID10608506
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name5,6-dimethylcyclobuta[b]naphthalene-1,2-dione
SMILESCc1cc2cc3c(=O)c(=O)c3cc2cc1C
InChIInChI=1S/C14H10O2/c1-7-3-9-5-11-12(14(16)13(11)15)6-10(9)4-8(7)2/h3-6H,1-2H3
InChIKeyHQJPWVZMRNBBIE-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione?
The IUPAC name of 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione (CID 10608506) is 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione.
What is the SMILES notation for 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione?
The canonical SMILES for 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione is Cc1cc2cc3c(=O)c(=O)c3cc2cc1C.
What is the InChIKey of 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione?
The InChIKey is HQJPWVZMRNBBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c1-7-3-9-5-11-12(14(16)13(11)15)6-10(9)4-8(7)2/h3-6H,1-2H3.
What are the key properties of 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione?
5,6-dimethylcyclobuta[b]naphthalene-1,2-dione has a molecular weight of 210.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylcyclobuta[b]naphthalene-1,2-dione is sourced from PubChem (CID 10608506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).