bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate

C18H34O8 — CID 101278936

IUPACbis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate
SMILESCCC(CC(=O)OCCOCCOC)C(C)C(=O)OCCOCCOC
InChIInChI=1S/C18H34O8/c1-5-16(14-17(19)25-12-10-23-8-6-21-3)15(2)18(20)26-13-11-24-9-7-22-4/h15-16H,5-14H2,1-4H3
InChIKeyUWKOQTGRNGBULD-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.45
Rot. Bonds17

About bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate

bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate (PubChem CID 101278936) has the molecular formula C18H34O8 and a molecular weight of 378.46 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate.

Molecular Properties

Compound Namebis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate
PubChem CID101278936
Molecular FormulaC18H34O8
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Namebis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate
SMILESCCC(CC(=O)OCCOCCOC)C(C)C(=O)OCCOCCOC
InChIInChI=1S/C18H34O8/c1-5-16(14-17(19)25-12-10-23-8-6-21-3)15(2)18(20)26-13-11-24-9-7-22-4/h15-16H,5-14H2,1-4H3
InChIKeyUWKOQTGRNGBULD-UHFFFAOYSA-N
XLogP1.45
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-ethylhexyl) glutarate
CID 89482
Bis(2-(2-(2-butoxyethoxy)ethoxy)ethyl) hydrogen glutarate
CID 103407
Glutaric acid, di(2-propylpentyl) ester
CID 91706098
Glutaric acid, di(2-methylpentyl) ester
CID 91705399
Glutaric acid, butyl 2-ethylhexyl ester
CID 20535568
Glutaric acid, di(4-methylpent-2-yl) ester
CID 87115694
Glutaric acid, di(isohexyl) ester
CID 87115695
Glutaric acid, di(2-ethylbutyl) ester
CID 87567547
Glutaric acid, di(3-methylpentyl) ester
CID 91706840
Pentane-1,5-DI-(2-ethylhexanoate)
CID 76312308
Glutaric acid, di(2,4,4-trimethylpentyl) ester
CID 15593943
Glutaric acid, di(4-methoxy-2-methylbutyl) ester
CID 91701482

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate?
The IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate (CID 101278936) is bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate.
What is the SMILES notation for bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate?
The canonical SMILES for bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate is CCC(CC(=O)OCCOCCOC)C(C)C(=O)OCCOCCOC.
What is the InChIKey of bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate?
The InChIKey is UWKOQTGRNGBULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O8/c1-5-16(14-17(19)25-12-10-23-8-6-21-3)15(2)18(20)26-13-11-24-9-7-22-4/h15-16H,5-14H2,1-4H3.
What are the key properties of bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate?
bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate has a molecular weight of 378.46 g/mol, XLogP of 1.45, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate is sourced from PubChem (CID 101278936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).