bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate

C18H34O8 — CID 101278893

IUPACbis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate
SMILESCCCCCC(C(=O)OCCOCCOC)C(=O)OCCOCCOC
InChIInChI=1S/C18H34O8/c1-4-5-6-7-16(17(19)25-14-12-23-10-8-21-2)18(20)26-15-13-24-11-9-22-3/h16H,4-15H2,1-3H3
InChIKeyJNCPZIAQBHHYAP-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.60
Rot. Bonds18

About bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate

bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate (PubChem CID 101278893) has the molecular formula C18H34O8 and a molecular weight of 378.46 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate.

Molecular Properties

Compound Namebis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate
PubChem CID101278893
Molecular FormulaC18H34O8
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Namebis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate
SMILESCCCCCC(C(=O)OCCOCCOC)C(=O)OCCOCCOC
InChIInChI=1S/C18H34O8/c1-4-5-6-7-16(17(19)25-14-12-23-10-8-21-2)18(20)26-15-13-24-11-9-22-3/h16H,4-15H2,1-3H3
InChIKeyJNCPZIAQBHHYAP-UHFFFAOYSA-N
XLogP1.60
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate?
The IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate (CID 101278893) is bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate.
What is the SMILES notation for bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate?
The canonical SMILES for bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate is CCCCCC(C(=O)OCCOCCOC)C(=O)OCCOCCOC.
What is the InChIKey of bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate?
The InChIKey is JNCPZIAQBHHYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O8/c1-4-5-6-7-16(17(19)25-14-12-23-10-8-21-2)18(20)26-15-13-24-11-9-22-3/h16H,4-15H2,1-3H3.
What are the key properties of bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate?
bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate has a molecular weight of 378.46 g/mol, XLogP of 1.60, 18 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] 2-pentylpropanedioate is sourced from PubChem (CID 101278893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).