2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate

C9H16O6 — CID 174488486

IUPAC2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
SMILESC=C(OCCOCCO)C(=O)OCCO
InChIInChI=1S/C9H16O6/c1-8(9(12)15-5-3-11)14-7-6-13-4-2-10/h10-11H,1-7H2
InChIKeyHJORSZPJEBXQLI-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.94
Rot. Bonds9

About 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate

2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate (PubChem CID 174488486) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
PubChem CID174488486
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
SMILESC=C(OCCOCCO)C(=O)OCCO
InChIInChI=1S/C9H16O6/c1-8(9(12)15-5-3-11)14-7-6-13-4-2-10/h10-11H,1-7H2
InChIKeyHJORSZPJEBXQLI-UHFFFAOYSA-N
XLogP-0.94
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate (CID 174488486) is 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate is C=C(OCCOCCO)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate?
The InChIKey is HJORSZPJEBXQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-8(9(12)15-5-3-11)14-7-6-13-4-2-10/h10-11H,1-7H2.
What are the key properties of 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate?
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate has a molecular weight of 220.22 g/mol, XLogP of -0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate is sourced from PubChem (CID 174488486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).