dimethyl benzene-1,2-dicarboxylate

C10H10O4 — CID 8554

IUPACdimethyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChIKeyNIQCNGHVCWTJSM-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.26
Rot. Bonds2

About dimethyl benzene-1,2-dicarboxylate

dimethyl benzene-1,2-dicarboxylate (PubChem CID 8554) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is dimethyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl benzene-1,2-dicarboxylate
PubChem CID8554
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namedimethyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChIKeyNIQCNGHVCWTJSM-UHFFFAOYSA-N
XLogP1.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Phthalic Acid
CID 1017
Butylphthalide
CID 61361
Diisobutyl phthalate
CID 6782
Phthalic Anhydride
CID 6811
Methyl Benzoate
CID 7150
di-N-Octyl Phthalate
CID 8346
Diisodecyl Phthalate
CID 33599
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347

Frequently Asked Questions

What is the IUPAC name of dimethyl benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl benzene-1,2-dicarboxylate (CID 8554) is dimethyl benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl benzene-1,2-dicarboxylate is COC(=O)c1ccccc1C(=O)OC.
What is the InChIKey of dimethyl benzene-1,2-dicarboxylate?
The InChIKey is NIQCNGHVCWTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3.
What are the key properties of dimethyl benzene-1,2-dicarboxylate?
dimethyl benzene-1,2-dicarboxylate has a molecular weight of 194.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 8554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).