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

C10H14O5 — CID 57137547

IUPAC1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate
SMILESCc1oc(=O)oc1C(C)OC(=O)C(C)C
InChIInChI=1S/C10H14O5/c1-5(2)9(11)13-6(3)8-7(4)14-10(12)15-8/h5-6H,1-4H3
InChIKeyBUAGRTRKRCNEKJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.80
Rot. Bonds3

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

1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate (PubChem CID 57137547) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate
PubChem CID57137547
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate
SMILESCc1oc(=O)oc1C(C)OC(=O)C(C)C
InChIInChI=1S/C10H14O5/c1-5(2)9(11)13-6(3)8-7(4)14-10(12)15-8/h5-6H,1-4H3
InChIKeyBUAGRTRKRCNEKJ-UHFFFAOYSA-N
XLogP1.80
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate?
The IUPAC name of 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate (CID 57137547) is 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate.
What is the SMILES notation for 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate?
The canonical SMILES for 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate is Cc1oc(=O)oc1C(C)OC(=O)C(C)C.
What is the InChIKey of 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate?
The InChIKey is BUAGRTRKRCNEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5(2)9(11)13-6(3)8-7(4)14-10(12)15-8/h5-6H,1-4H3.
What are the key properties of 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate?
1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate has a molecular weight of 214.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate is sourced from PubChem (CID 57137547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).