dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate

C24H24O4 — CID 134983365

IUPACdimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(cc1C(=O)OC)=C1C(C)=CC(C)=CC(C)=C1C(C)=CC=2
InChIInChI=1S/C24H24O4/c1-13-9-15(3)21-14(2)7-8-17-11-19(23(25)27-5)20(24(26)28-6)12-18(17)22(21)16(4)10-13/h7-12H,1-6H3
InChIKeyGQGWNJOWKGZQSV-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.37
Rot. Bonds2

About dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate

dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate (PubChem CID 134983365) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate
PubChem CID134983365
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Namedimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(cc1C(=O)OC)=C1C(C)=CC(C)=CC(C)=C1C(C)=CC=2
InChIInChI=1S/C24H24O4/c1-13-9-15(3)21-14(2)7-8-17-11-19(23(25)27-5)20(24(26)28-6)12-18(17)22(21)16(4)10-13/h7-12H,1-6H3
InChIKeyGQGWNJOWKGZQSV-UHFFFAOYSA-N
XLogP3.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate (CID 134983365) is dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate is COC(=O)c1cc2c(cc1C(=O)OC)=C1C(C)=CC(C)=CC(C)=C1C(C)=CC=2.
What is the InChIKey of dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate?
The InChIKey is GQGWNJOWKGZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-13-9-15(3)21-14(2)7-8-17-11-19(23(25)27-5)20(24(26)28-6)12-18(17)22(21)16(4)10-13/h7-12H,1-6H3.
What are the key properties of dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate?
dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate has a molecular weight of 376.45 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7,8,10,12-tetramethylbenzo[a]heptalene-2,3-dicarboxylate is sourced from PubChem (CID 134983365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).