bis(2-methoxyethyl) benzene-1,2-dicarboxylate

C14H18O6 — CID 8344

IUPACbis(2-methoxyethyl) benzene-1,2-dicarboxylate
SMILESCOCCOC(=O)c1ccccc1C(=O)OCCOC
InChIInChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
InChIKeyHSUIVCLOAAJSRE-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.29
Rot. Bonds8

About bis(2-methoxyethyl) benzene-1,2-dicarboxylate

bis(2-methoxyethyl) benzene-1,2-dicarboxylate (PubChem CID 8344) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is bis(2-methoxyethyl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2-methoxyethyl) benzene-1,2-dicarboxylate
PubChem CID8344
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namebis(2-methoxyethyl) benzene-1,2-dicarboxylate
SMILESCOCCOC(=O)c1ccccc1C(=O)OCCOC
InChIInChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
InChIKeyHSUIVCLOAAJSRE-UHFFFAOYSA-N
XLogP1.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Butylphthalide
CID 61361
Dimethyl Phthalate
CID 8554
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 bis(2-methoxyethyl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(2-methoxyethyl) benzene-1,2-dicarboxylate (CID 8344) is bis(2-methoxyethyl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(2-methoxyethyl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(2-methoxyethyl) benzene-1,2-dicarboxylate is COCCOC(=O)c1ccccc1C(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl) benzene-1,2-dicarboxylate?
The InChIKey is HSUIVCLOAAJSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3.
What are the key properties of bis(2-methoxyethyl) benzene-1,2-dicarboxylate?
bis(2-methoxyethyl) benzene-1,2-dicarboxylate has a molecular weight of 282.29 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 8344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).