dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate

C19H18O5 — CID 10711221

IUPACdimethyl 9,9-dimethylxanthene-2,6-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)Oc1ccc(C(=O)OC)cc1C2(C)C
InChIInChI=1S/C19H18O5/c1-19(2)13-7-5-12(18(21)23-4)10-16(13)24-15-8-6-11(9-14(15)19)17(20)22-3/h5-10H,1-4H3
InChIKeyZNKPMDDFNRVKEA-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.69
Rot. Bonds2

About dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate

dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate (PubChem CID 10711221) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9,9-dimethylxanthene-2,6-dicarboxylate
PubChem CID10711221
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Namedimethyl 9,9-dimethylxanthene-2,6-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)Oc1ccc(C(=O)OC)cc1C2(C)C
InChIInChI=1S/C19H18O5/c1-19(2)13-7-5-12(18(21)23-4)10-16(13)24-15-8-6-11(9-14(15)19)17(20)22-3/h5-10H,1-4H3
InChIKeyZNKPMDDFNRVKEA-UHFFFAOYSA-N
XLogP3.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-1-[6-(2-bromoacetyl)-9,9-dimethylxanthen-2-yl]ethanone
CID 88948369
methyl 1,1,3,3-tetramethyl-2-benzofuran-5-carboxylate
CID 84820512
methyl 3,3-dimethyl-2H-1-benzofuran-5-carboxylate
CID 118098434
methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
CID 22944033
methyl 3-methoxy-5,5-dimethyl-6H-[1]benzoxepino[3,2-b]pyridine-9-carboxylate
CID 155386865
methyl 3-methoxyspiro[6H-[1]benzoxepino[3,2-b]pyridine-5,1'-cyclopropane]-9-carboxylate
CID 138675484
1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone
CID 171503176
2,7-bis(methoxycarbonyl)-9H-xanthene-9-carboxylic acid
CID 23283091
methyl (1R,9S)-1,9-dimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carboxylate
CID 170988495
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
dimethyl 10-phenylphenoxathiin-10-ium-3,7-dicarboxylate
CID 171589660

Frequently Asked Questions

What is the IUPAC name of dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate?
The IUPAC name of dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate (CID 10711221) is dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate?
The canonical SMILES for dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate is COC(=O)c1ccc2c(c1)Oc1ccc(C(=O)OC)cc1C2(C)C.
What is the InChIKey of dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate?
The InChIKey is ZNKPMDDFNRVKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-19(2)13-7-5-12(18(21)23-4)10-16(13)24-15-8-6-11(9-14(15)19)17(20)22-3/h5-10H,1-4H3.
What are the key properties of dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate?
dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate is sourced from PubChem (CID 10711221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).