methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate

C15H20O7 — CID 22982305

IUPACmethyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate
SMILESCOC(=O)C(C)(CC1OC(=O)CC1C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C15H20O7/c1-7-5-10(16)21-9(7)6-15(3,14(19)20-4)11-8(2)12(17)22-13(11)18/h7-9,11H,5-6H2,1-4H3
InChIKeyJGIUYOAAQOLWGT-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.84
Rot. Bonds4

About methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate

methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate (PubChem CID 22982305) has the molecular formula C15H20O7 and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate
PubChem CID22982305
Molecular FormulaC15H20O7
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Namemethyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate
SMILESCOC(=O)C(C)(CC1OC(=O)CC1C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C15H20O7/c1-7-5-10(16)21-9(7)6-15(3,14(19)20-4)11-8(2)12(17)22-13(11)18/h7-9,11H,5-6H2,1-4H3
InChIKeyJGIUYOAAQOLWGT-UHFFFAOYSA-N
XLogP0.84
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate with MolForge

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Launch Full Analysis

Related Compounds

methane;methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-4-(2-methyl-5-oxooxolan-2-yl)butanoate
CID 157448569
tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate
CID 130763729
3-[1-(3,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methyl-3-oxobutan-2-yl]-4-methyloxolane-2,5-dione
CID 23516478
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
CID 131131118
(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
CID 13367846
butyl 2,2-dimethyl-3-(4-methyl-2,5-dioxooxolan-3-yl)propanoate
CID 89316639
methane;methyl 2-methyl-2-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-4-(2-methyl-5-oxooxolan-2-yl)butanoate
CID 159985439
5-acetyl-4-methyloxolan-2-one
CID 14713998
dimethyl 2-methyl-2-[(3-methyloxiran-2-yl)methyl]propanedioate
CID 102165587
dimethyl 2,3-dimethylbutanedioate;3,4-dimethyloxolane-2,5-dione
CID 158182457

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate (CID 22982305) is methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate is COC(=O)C(C)(CC1OC(=O)CC1C)C1C(=O)OC(=O)C1C.
What is the InChIKey of methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate?
The InChIKey is JGIUYOAAQOLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O7/c1-7-5-10(16)21-9(7)6-15(3,14(19)20-4)11-8(2)12(17)22-13(11)18/h7-9,11H,5-6H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate?
methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate has a molecular weight of 312.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate is sourced from PubChem (CID 22982305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).