2-(2-hydroxyethoxy)acetate

C4H7O4- — CID 22628635

IUPAC2-(2-hydroxyethoxy)acetate
SMILESO=C([O-])COCCO
InChIInChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1
InChIKeyVDNMIIDPBBCMTM-UHFFFAOYSA-M
MW119.10 g/mol
LogP-2.25
Rot. Bonds4

About 2-(2-hydroxyethoxy)acetate

2-(2-hydroxyethoxy)acetate (PubChem CID 22628635) has the molecular formula C4H7O4- and a molecular weight of 119.10 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)acetate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)acetate
PubChem CID22628635
Molecular FormulaC4H7O4-
Molecular Weight119.10 g/mol
Exact Mass119.03
IUPAC Name2-(2-hydroxyethoxy)acetate
SMILESO=C([O-])COCCO
InChIInChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1
InChIKeyVDNMIIDPBBCMTM-UHFFFAOYSA-M
XLogP-2.25
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.10
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2-hydroxyethoxy)acetate?
The IUPAC name of 2-(2-hydroxyethoxy)acetate (CID 22628635) is 2-(2-hydroxyethoxy)acetate.
What is the SMILES notation for 2-(2-hydroxyethoxy)acetate?
The canonical SMILES for 2-(2-hydroxyethoxy)acetate is O=C([O-])COCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)acetate?
The InChIKey is VDNMIIDPBBCMTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1.
What are the key properties of 2-(2-hydroxyethoxy)acetate?
2-(2-hydroxyethoxy)acetate has a molecular weight of 119.10 g/mol, XLogP of -2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)acetate is sourced from PubChem (CID 22628635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).