2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid

C8H14O4 — CID 57203496

IUPAC2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid
SMILESO=C(O)CC1(CCO)CCCO1
InChIInChI=1S/C8H14O4/c9-4-3-8(6-7(10)11)2-1-5-12-8/h9H,1-6H2,(H,10,11)
InChIKeyFNJIFNNZRWYTBX-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.39
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid

2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid (PubChem CID 57203496) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid
PubChem CID57203496
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid
SMILESO=C(O)CC1(CCO)CCCO1
InChIInChI=1S/C8H14O4/c9-4-3-8(6-7(10)11)2-1-5-12-8/h9H,1-6H2,(H,10,11)
InChIKeyFNJIFNNZRWYTBX-UHFFFAOYSA-N
XLogP0.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid?
The IUPAC name of 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid (CID 57203496) is 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid?
The canonical SMILES for 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid is O=C(O)CC1(CCO)CCCO1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid?
The InChIKey is FNJIFNNZRWYTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c9-4-3-8(6-7(10)11)2-1-5-12-8/h9H,1-6H2,(H,10,11).
What are the key properties of 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid?
2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid has a molecular weight of 174.20 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid is sourced from PubChem (CID 57203496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).