[3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate

C15H22O5 — CID 144910531

IUPAC[3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCC(C2(C)CCOC2=O)C1=O
InChIInChI=1S/C15H22O5/c1-9(2)13(17)20-11-6-4-5-10(12(11)16)15(3)7-8-19-14(15)18/h9-11H,4-8H2,1-3H3
InChIKeyTXISDZPIKZOPJG-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.88
Rot. Bonds3

About [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate

[3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate (PubChem CID 144910531) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate.

Molecular Properties

Compound Name[3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate
PubChem CID144910531
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name[3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCC(C2(C)CCOC2=O)C1=O
InChIInChI=1S/C15H22O5/c1-9(2)13(17)20-11-6-4-5-10(12(11)16)15(3)7-8-19-14(15)18/h9-11H,4-8H2,1-3H3
InChIKeyTXISDZPIKZOPJG-UHFFFAOYSA-N
XLogP1.88
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate?
The IUPAC name of [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate (CID 144910531) is [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate.
What is the SMILES notation for [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate?
The canonical SMILES for [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate is CC(C)C(=O)OC1CCCC(C2(C)CCOC2=O)C1=O.
What is the InChIKey of [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate?
The InChIKey is TXISDZPIKZOPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9(2)13(17)20-11-6-4-5-10(12(11)16)15(3)7-8-19-14(15)18/h9-11H,4-8H2,1-3H3.
What are the key properties of [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate?
[3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate has a molecular weight of 282.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate is sourced from PubChem (CID 144910531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).