(4-hydroxyoxolan-3-yl) acetate

C6H10O4 — CID 14785283

IUPAC(4-hydroxyoxolan-3-yl) acetate
SMILESCC(=O)OC1COCC1O
InChIInChI=1S/C6H10O4/c1-4(7)10-6-3-9-2-5(6)8/h5-6,8H,2-3H2,1H3
InChIKeyOUSGHEFRPKUEIA-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.69
Rot. Bonds1

About (4-hydroxyoxolan-3-yl) acetate

(4-hydroxyoxolan-3-yl) acetate (PubChem CID 14785283) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (4-hydroxyoxolan-3-yl) acetate.

Molecular Properties

Compound Name(4-hydroxyoxolan-3-yl) acetate
PubChem CID14785283
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(4-hydroxyoxolan-3-yl) acetate
SMILESCC(=O)OC1COCC1O
InChIInChI=1S/C6H10O4/c1-4(7)10-6-3-9-2-5(6)8/h5-6,8H,2-3H2,1H3
InChIKeyOUSGHEFRPKUEIA-UHFFFAOYSA-N
XLogP-0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyoxolan-3-yl) acetate?
The IUPAC name of (4-hydroxyoxolan-3-yl) acetate (CID 14785283) is (4-hydroxyoxolan-3-yl) acetate.
What is the SMILES notation for (4-hydroxyoxolan-3-yl) acetate?
The canonical SMILES for (4-hydroxyoxolan-3-yl) acetate is CC(=O)OC1COCC1O.
What is the InChIKey of (4-hydroxyoxolan-3-yl) acetate?
The InChIKey is OUSGHEFRPKUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(7)10-6-3-9-2-5(6)8/h5-6,8H,2-3H2,1H3.
What are the key properties of (4-hydroxyoxolan-3-yl) acetate?
(4-hydroxyoxolan-3-yl) acetate has a molecular weight of 146.14 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyoxolan-3-yl) acetate is sourced from PubChem (CID 14785283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).