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

C12H16O7 — CID 162724720

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate
SMILESCCC(=O)OC(C)(C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C12H16O7/c1-5-9(13)19-12(3,4)10(14)16-6-8-7(2)17-11(15)18-8/h5-6H2,1-4H3
InChIKeyIVBOBJQCVJWLOI-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.32
Rot. Bonds5

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

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate (PubChem CID 162724720) has the molecular formula C12H16O7 and a molecular weight of 272.25 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate
PubChem CID162724720
Molecular FormulaC12H16O7
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate
SMILESCCC(=O)OC(C)(C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C12H16O7/c1-5-9(13)19-12(3,4)10(14)16-6-8-7(2)17-11(15)18-8/h5-6H2,1-4H3
InChIKeyIVBOBJQCVJWLOI-UHFFFAOYSA-N
XLogP1.32
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-acetyloxy-2-methylpropanoate
CID 162724657
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethyl-5-oxohexanoate
CID 162724784
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-bromoacetate
CID 170649836
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate
CID 59107308
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 164575426
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-methyl-4-oxohexanoate
CID 164737996
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;1-(2-methylpropanoyloxy)ethyl 2,2-dimethylpropanoate
CID 158254981
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate
CID 70670865
4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 118882291
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2S,3S)-2,3-dimethylpentanoate
CID 174159130
4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one
CID 58840443
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
CID 141202995

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate (CID 162724720) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate is CCC(=O)OC(C)(C)C(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate?
The InChIKey is IVBOBJQCVJWLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O7/c1-5-9(13)19-12(3,4)10(14)16-6-8-7(2)17-11(15)18-8/h5-6H2,1-4H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate has a molecular weight of 272.25 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate is sourced from PubChem (CID 162724720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).