1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate

C17H24O8 — CID 153260877

IUPAC1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
SMILESCOCCOCCOC(=O)c1ccccc1C(=O)OCCOCCO
InChIInChI=1S/C17H24O8/c1-21-8-9-23-11-13-25-17(20)15-5-3-2-4-14(15)16(19)24-12-10-22-7-6-18/h2-5,18H,6-13H2,1H3
InChIKeyWVFBCAGLZDXYFL-UHFFFAOYSA-N
MW356.37 g/mol
LogP0.67
Rot. Bonds13

About 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate

1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate (PubChem CID 153260877) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
PubChem CID153260877
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
SMILESCOCCOCCOC(=O)c1ccccc1C(=O)OCCOCCO
InChIInChI=1S/C17H24O8/c1-21-8-9-23-11-13-25-17(20)15-5-3-2-4-14(15)16(19)24-12-10-22-7-6-18/h2-5,18H,6-13H2,1H3
InChIKeyWVFBCAGLZDXYFL-UHFFFAOYSA-N
XLogP0.67
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);bis(2-[2-(2-hydroxyethoxy)ethoxycarbonyl]benzoate)
CID 101274297
1-O-decyl 2-O-[2-(2-hydroxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 170841279
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-sulfanylbenzoate
CID 71446016
dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol
CID 21326814
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 91694142
2-(3-methoxypropoxy)ethyl 2-sulfanylbenzoate
CID 107019127
ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;naphthalene
CID 123844641
bis[3-(3-hydroxypropoxy)propyl] benzene-1,2-dicarboxylate
CID 142688933
1-O-hexadecyl 2-O-(2-methoxyethyl) benzene-1,2-dicarboxylate
CID 6423568
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909
2-(2-hydroxyethoxy)ethyl 3-acetyl-2-acetyloxybenzoate
CID 22620908

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate (CID 153260877) is 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate is COCCOCCOC(=O)c1ccccc1C(=O)OCCOCCO.
What is the InChIKey of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
The InChIKey is WVFBCAGLZDXYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O8/c1-21-8-9-23-11-13-25-17(20)15-5-3-2-4-14(15)16(19)24-12-10-22-7-6-18/h2-5,18H,6-13H2,1H3.
What are the key properties of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate?
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate has a molecular weight of 356.37 g/mol, XLogP of 0.67, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate is sourced from PubChem (CID 153260877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).