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

C10H14O5 — CID 21061601

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
SMILESCc1oc(=O)oc1COC(=O)C(C)(C)C
InChIInChI=1S/C10H14O5/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4/h5H2,1-4H3
InChIKeyHGKCSODIVQXSDF-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.63
Rot. Bonds2

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

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate (PubChem CID 21061601) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
PubChem CID21061601
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
SMILESCc1oc(=O)oc1COC(=O)C(C)(C)C
InChIInChI=1S/C10H14O5/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4/h5H2,1-4H3
InChIKeyHGKCSODIVQXSDF-UHFFFAOYSA-N
XLogP1.63
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.63
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 2,2-dimethylpropanoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate (CID 21061601) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate is Cc1oc(=O)oc1COC(=O)C(C)(C)C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is HGKCSODIVQXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4/h5H2,1-4H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 214.22 g/mol, XLogP of 1.63, 2 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 2,2-dimethylpropanoate is sourced from PubChem (CID 21061601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).