(5-oxooxolan-2-yl)methyl acetate

C7H10O4 — CID 13462618

IUPAC(5-oxooxolan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(=O)O1
InChIInChI=1S/C7H10O4/c1-5(8)10-4-6-2-3-7(9)11-6/h6H,2-4H2,1H3
InChIKeyBXLQWTUDERRWIA-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.26
Rot. Bonds2

About (5-oxooxolan-2-yl)methyl acetate

(5-oxooxolan-2-yl)methyl acetate (PubChem CID 13462618) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (5-oxooxolan-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-oxooxolan-2-yl)methyl acetate
PubChem CID13462618
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(5-oxooxolan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(=O)O1
InChIInChI=1S/C7H10O4/c1-5(8)10-4-6-2-3-7(9)11-6/h6H,2-4H2,1H3
InChIKeyBXLQWTUDERRWIA-UHFFFAOYSA-N
XLogP0.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-2-yl)methyl acetate?
The IUPAC name of (5-oxooxolan-2-yl)methyl acetate (CID 13462618) is (5-oxooxolan-2-yl)methyl acetate.
What is the SMILES notation for (5-oxooxolan-2-yl)methyl acetate?
The canonical SMILES for (5-oxooxolan-2-yl)methyl acetate is CC(=O)OCC1CCC(=O)O1.
What is the InChIKey of (5-oxooxolan-2-yl)methyl acetate?
The InChIKey is BXLQWTUDERRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(8)10-4-6-2-3-7(9)11-6/h6H,2-4H2,1H3.
What are the key properties of (5-oxooxolan-2-yl)methyl acetate?
(5-oxooxolan-2-yl)methyl acetate has a molecular weight of 158.15 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-2-yl)methyl acetate is sourced from PubChem (CID 13462618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).