(2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate

C11H18O4 — CID 90306946

IUPAC(2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CC(=O)CO1
InChIInChI=1S/C11H18O4/c1-5-10(2,3)9(13)15-11(4)6-8(12)7-14-11/h5-7H2,1-4H3
InChIKeyJKVXPLXLZIVWMH-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.67
Rot. Bonds3

About (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate

(2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate (PubChem CID 90306946) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate
PubChem CID90306946
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CC(=O)CO1
InChIInChI=1S/C11H18O4/c1-5-10(2,3)9(13)15-11(4)6-8(12)7-14-11/h5-7H2,1-4H3
InChIKeyJKVXPLXLZIVWMH-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate?
The IUPAC name of (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate (CID 90306946) is (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)CC(=O)CO1.
What is the InChIKey of (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate?
The InChIKey is JKVXPLXLZIVWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-10(2,3)9(13)15-11(4)6-8(12)7-14-11/h5-7H2,1-4H3.
What are the key properties of (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate?
(2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate has a molecular weight of 214.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 90306946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).