(2-oxooxolan-3-yl)methyl acetate

C7H10O4 — CID 12039852

IUPAC(2-oxooxolan-3-yl)methyl acetate
SMILESCC(=O)OCC1CCOC1=O
InChIInChI=1S/C7H10O4/c1-5(8)11-4-6-2-3-10-7(6)9/h6H,2-4H2,1H3
InChIKeyMXFGFGMYYWKZDJ-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.11
Rot. Bonds2

About (2-oxooxolan-3-yl)methyl acetate

(2-oxooxolan-3-yl)methyl acetate (PubChem CID 12039852) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2-oxooxolan-3-yl)methyl acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl)methyl acetate
PubChem CID12039852
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(2-oxooxolan-3-yl)methyl acetate
SMILESCC(=O)OCC1CCOC1=O
InChIInChI=1S/C7H10O4/c1-5(8)11-4-6-2-3-10-7(6)9/h6H,2-4H2,1H3
InChIKeyMXFGFGMYYWKZDJ-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl)methyl acetate?
The IUPAC name of (2-oxooxolan-3-yl)methyl acetate (CID 12039852) is (2-oxooxolan-3-yl)methyl acetate.
What is the SMILES notation for (2-oxooxolan-3-yl)methyl acetate?
The canonical SMILES for (2-oxooxolan-3-yl)methyl acetate is CC(=O)OCC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl)methyl acetate?
The InChIKey is MXFGFGMYYWKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(8)11-4-6-2-3-10-7(6)9/h6H,2-4H2,1H3.
What are the key properties of (2-oxooxolan-3-yl)methyl acetate?
(2-oxooxolan-3-yl)methyl acetate has a molecular weight of 158.15 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl)methyl acetate is sourced from PubChem (CID 12039852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).