bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate

C20H38O8 — CID 101278961

IUPACbis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate
SMILESCCCC(CC(=O)OCCOCCOCC)CC(=O)OCCOCCOCC
InChIInChI=1S/C20H38O8/c1-4-7-18(16-19(21)27-14-12-25-10-8-23-5-2)17-20(22)28-15-13-26-11-9-24-6-3/h18H,4-17H2,1-3H3
InChIKeyMSGCHPHMPZROHP-UHFFFAOYSA-N
MW406.52 g/mol
LogP2.38
Rot. Bonds20

About bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate

bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate (PubChem CID 101278961) has the molecular formula C20H38O8 and a molecular weight of 406.52 g/mol. Its IUPAC name is bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate.

Molecular Properties

Compound Namebis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate
PubChem CID101278961
Molecular FormulaC20H38O8
Molecular Weight406.52 g/mol
Exact Mass406.26
IUPAC Namebis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate
SMILESCCCC(CC(=O)OCCOCCOCC)CC(=O)OCCOCCOCC
InChIInChI=1S/C20H38O8/c1-4-7-18(16-19(21)27-14-12-25-10-8-23-5-2)17-20(22)28-15-13-26-11-9-24-6-3/h18H,4-17H2,1-3H3
InChIKeyMSGCHPHMPZROHP-UHFFFAOYSA-N
XLogP2.38
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate?
The IUPAC name of bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate (CID 101278961) is bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate.
What is the SMILES notation for bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate?
The canonical SMILES for bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate is CCCC(CC(=O)OCCOCCOCC)CC(=O)OCCOCCOCC.
What is the InChIKey of bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate?
The InChIKey is MSGCHPHMPZROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O8/c1-4-7-18(16-19(21)27-14-12-25-10-8-23-5-2)17-20(22)28-15-13-26-11-9-24-6-3/h18H,4-17H2,1-3H3.
What are the key properties of bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate?
bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate has a molecular weight of 406.52 g/mol, XLogP of 2.38, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate is sourced from PubChem (CID 101278961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).