[4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate

C14H20O6 — CID 23561963

IUPAC[4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C2COC(=O)C2)CC(=O)CO1
InChIInChI=1S/C14H20O6/c1-4-13(2,3)12(17)20-14(6-10(15)8-19-14)9-5-11(16)18-7-9/h9H,4-8H2,1-3H3
InChIKeyDXJLYCMLVAYCFM-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.21
Rot. Bonds4

About [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate

[4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate (PubChem CID 23561963) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate
PubChem CID23561963
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C2COC(=O)C2)CC(=O)CO1
InChIInChI=1S/C14H20O6/c1-4-13(2,3)12(17)20-14(6-10(15)8-19-14)9-5-11(16)18-7-9/h9H,4-8H2,1-3H3
InChIKeyDXJLYCMLVAYCFM-UHFFFAOYSA-N
XLogP1.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate?
The IUPAC name of [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate (CID 23561963) is [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C2COC(=O)C2)CC(=O)CO1.
What is the InChIKey of [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate?
The InChIKey is DXJLYCMLVAYCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-4-13(2,3)12(17)20-14(6-10(15)8-19-14)9-5-11(16)18-7-9/h9H,4-8H2,1-3H3.
What are the key properties of [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate?
[4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate has a molecular weight of 284.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 23561963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).