diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate

C20H30O10 — CID 101102266

IUPACdiethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1cc(OCCOCCO)c(C(=O)OCC)cc1OCCOCCO
InChIInChI=1S/C20H30O10/c1-3-27-19(23)15-13-18(30-12-10-26-8-6-22)16(20(24)28-4-2)14-17(15)29-11-9-25-7-5-21/h13-14,21-22H,3-12H2,1-2H3
InChIKeySEJKXMFNBHFUPY-UHFFFAOYSA-N
MW430.45 g/mol
LogP0.82
Rot. Bonds16

About diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate

diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate (PubChem CID 101102266) has the molecular formula C20H30O10 and a molecular weight of 430.45 g/mol. Its IUPAC name is diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate
PubChem CID101102266
Molecular FormulaC20H30O10
Molecular Weight430.45 g/mol
Exact Mass430.18
IUPAC Namediethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1cc(OCCOCCO)c(C(=O)OCC)cc1OCCOCCO
InChIInChI=1S/C20H30O10/c1-3-27-19(23)15-13-18(30-12-10-26-8-6-22)16(20(24)28-4-2)14-17(15)29-11-9-25-7-5-21/h13-14,21-22H,3-12H2,1-2H3
InChIKeySEJKXMFNBHFUPY-UHFFFAOYSA-N
XLogP0.82
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
ethyl 5-amino-2-(2-propoxyethoxy)benzoate
CID 55232457
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
diethyl 2-(8-hydroxyoctoxy)-5-phenylmethoxybenzene-1,4-dicarboxylate
CID 134215432
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
ethyl 5-[9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,7-dimethylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate
CID 58078177
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
ethyl 5-(2-hydroxyethoxy)-2-iodobenzoate
CID 3737455
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541

Frequently Asked Questions

What is the IUPAC name of diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate?
The IUPAC name of diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate (CID 101102266) is diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate.
What is the SMILES notation for diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate?
The canonical SMILES for diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate is CCOC(=O)c1cc(OCCOCCO)c(C(=O)OCC)cc1OCCOCCO.
What is the InChIKey of diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate?
The InChIKey is SEJKXMFNBHFUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O10/c1-3-27-19(23)15-13-18(30-12-10-26-8-6-22)16(20(24)28-4-2)14-17(15)29-11-9-25-7-5-21/h13-14,21-22H,3-12H2,1-2H3.
What are the key properties of diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate?
diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate has a molecular weight of 430.45 g/mol, XLogP of 0.82, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,5-bis[2-(2-hydroxyethoxy)ethoxy]benzene-1,4-dicarboxylate is sourced from PubChem (CID 101102266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).