dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate

C12H14O6 — CID 16637829

IUPACdimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(OC)c(OC)c1C(=O)OC
InChIInChI=1S/C12H14O6/c1-15-8-6-5-7(11(13)17-3)9(10(8)16-2)12(14)18-4/h5-6H,1-4H3
InChIKeyVCVGOGIBNHVVPX-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.28
Rot. Bonds4

About dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate

dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate (PubChem CID 16637829) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
PubChem CID16637829
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Namedimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(OC)c(OC)c1C(=O)OC
InChIInChI=1S/C12H14O6/c1-15-8-6-5-7(11(13)17-3)9(10(8)16-2)12(14)18-4/h5-6H,1-4H3
InChIKeyVCVGOGIBNHVVPX-UHFFFAOYSA-N
XLogP1.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 2-cyano-3,4-dimethoxybenzoate
CID 134647076
methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate
CID 11197116
dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
CID 121010380
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
methyl 2-phenyl-4-(2,3,4-trimethoxybenzoyl)furan-3-carboxylate
CID 56955596
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate (CID 16637829) is dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate is COC(=O)c1ccc(OC)c(OC)c1C(=O)OC.
What is the InChIKey of dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate?
The InChIKey is VCVGOGIBNHVVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-15-8-6-5-7(11(13)17-3)9(10(8)16-2)12(14)18-4/h5-6H,1-4H3.
What are the key properties of dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate?
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate has a molecular weight of 254.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate is sourced from PubChem (CID 16637829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).