(3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate

C15H26O4 — CID 118546508

IUPAC(3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate
SMILESCCCC1OC(=O)CC1(CC)OC(=O)C(C)(C)CC
InChIInChI=1S/C15H26O4/c1-6-9-11-15(8-3,10-12(16)18-11)19-13(17)14(4,5)7-2/h11H,6-10H2,1-5H3
InChIKeyFMGSDWUVNULOEM-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.23
Rot. Bonds6

About (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate

(3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 118546508) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate
PubChem CID118546508
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate
SMILESCCCC1OC(=O)CC1(CC)OC(=O)C(C)(C)CC
InChIInChI=1S/C15H26O4/c1-6-9-11-15(8-3,10-12(16)18-11)19-13(17)14(4,5)7-2/h11H,6-10H2,1-5H3
InChIKeyFMGSDWUVNULOEM-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate?
The IUPAC name of (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate (CID 118546508) is (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate is CCCC1OC(=O)CC1(CC)OC(=O)C(C)(C)CC.
What is the InChIKey of (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate?
The InChIKey is FMGSDWUVNULOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-6-9-11-15(8-3,10-12(16)18-11)19-13(17)14(4,5)7-2/h11H,6-10H2,1-5H3.
What are the key properties of (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate?
(3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 270.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-oxo-2-propyloxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 118546508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).