(2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate

C14H24O4 — CID 118546512

IUPAC(2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C(C)C)CC(=O)OC1CC
InChIInChI=1S/C14H24O4/c1-6-10(5)13(16)18-14(9(3)4)8-12(15)17-11(14)7-2/h9-11H,6-8H2,1-5H3
InChIKeyOSSYHYKCJFHOLN-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds5

About (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate

(2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate (PubChem CID 118546512) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate.

Molecular Properties

Compound Name(2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate
PubChem CID118546512
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C(C)C)CC(=O)OC1CC
InChIInChI=1S/C14H24O4/c1-6-10(5)13(16)18-14(9(3)4)8-12(15)17-11(14)7-2/h9-11H,6-8H2,1-5H3
InChIKeyOSSYHYKCJFHOLN-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate?
The IUPAC name of (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate (CID 118546512) is (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate.
What is the SMILES notation for (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate?
The canonical SMILES for (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate is CCC(C)C(=O)OC1(C(C)C)CC(=O)OC1CC.
What is the InChIKey of (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate?
The InChIKey is OSSYHYKCJFHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-10(5)13(16)18-14(9(3)4)8-12(15)17-11(14)7-2/h9-11H,6-8H2,1-5H3.
What are the key properties of (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate?
(2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylbutanoate is sourced from PubChem (CID 118546512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).