(4-methyl-5-oxooxolan-3-yl) acetate

C7H10O4 — CID 15743484

IUPAC(4-methyl-5-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1COC(=O)C1C
InChIInChI=1S/C7H10O4/c1-4-6(11-5(2)8)3-10-7(4)9/h4,6H,3H2,1-2H3
InChIKeyFMQILSDWCRNQLU-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.11
Rot. Bonds1

About (4-methyl-5-oxooxolan-3-yl) acetate

(4-methyl-5-oxooxolan-3-yl) acetate (PubChem CID 15743484) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (4-methyl-5-oxooxolan-3-yl) acetate.

Molecular Properties

Compound Name(4-methyl-5-oxooxolan-3-yl) acetate
PubChem CID15743484
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(4-methyl-5-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1COC(=O)C1C
InChIInChI=1S/C7H10O4/c1-4-6(11-5(2)8)3-10-7(4)9/h4,6H,3H2,1-2H3
InChIKeyFMQILSDWCRNQLU-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
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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Related Compounds

Methyl 3-acetoxy-2-methylbutyrate
CID 53436911
3-Furancarboxylic acid, tetrahydro-2-oxo-, ethyl ester
CID 79134
Methyl 2-oxooxolane-3-carboxylate
CID 315161
Methyl oxolane-3-carboxylate
CID 10678263
Ethyl 5-oxooxolane-3-carboxylate
CID 21586084
(R)-Methyl tetrahydrofuran-3-carboxylate
CID 51893068
(3R,4R)-4-hydroxy-3-methyloxolan-2-one
CID 10997004
(S)-3-Acetoxy-gamma-butyrolactone
CID 2734004
[(3R)-5-oxotetrahydrofuran-3-yl] acetate
CID 9877398
[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate
CID 11355638
(4R)-4-methoxyoxolan-2-one
CID 10820503
1,2-Diacetoxy-3-formylbutane
CID 10965568

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-oxooxolan-3-yl) acetate?
The IUPAC name of (4-methyl-5-oxooxolan-3-yl) acetate (CID 15743484) is (4-methyl-5-oxooxolan-3-yl) acetate.
What is the SMILES notation for (4-methyl-5-oxooxolan-3-yl) acetate?
The canonical SMILES for (4-methyl-5-oxooxolan-3-yl) acetate is CC(=O)OC1COC(=O)C1C.
What is the InChIKey of (4-methyl-5-oxooxolan-3-yl) acetate?
The InChIKey is FMQILSDWCRNQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-6(11-5(2)8)3-10-7(4)9/h4,6H,3H2,1-2H3.
What are the key properties of (4-methyl-5-oxooxolan-3-yl) acetate?
(4-methyl-5-oxooxolan-3-yl) acetate has a molecular weight of 158.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-oxooxolan-3-yl) acetate is sourced from PubChem (CID 15743484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).