(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate

C8H10O5 — CID 58506363

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
SMILESCCC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C8H10O5/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3-4H2,1-2H3
InChIKeyPUBTYJVEOZXHEU-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.99
Rot. Bonds3

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate (PubChem CID 58506363) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
PubChem CID58506363
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
SMILESCCC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C8H10O5/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3-4H2,1-2H3
InChIKeyPUBTYJVEOZXHEU-UHFFFAOYSA-N
XLogP0.99
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate (CID 58506363) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate is CCC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
The InChIKey is PUBTYJVEOZXHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3-4H2,1-2H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate has a molecular weight of 186.16 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate is sourced from PubChem (CID 58506363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).