1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate

C11H18O4 — CID 23561926

IUPAC1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)C1CCOC1=O
InChIInChI=1S/C11H18O4/c1-4-7(2)10(12)15-8(3)9-5-6-14-11(9)13/h7-9H,4-6H2,1-3H3
InChIKeyRSSWBUAQNXIILI-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate

1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate (PubChem CID 23561926) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate.

Molecular Properties

Compound Name1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate
PubChem CID23561926
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)C1CCOC1=O
InChIInChI=1S/C11H18O4/c1-4-7(2)10(12)15-8(3)9-5-6-14-11(9)13/h7-9H,4-6H2,1-3H3
InChIKeyRSSWBUAQNXIILI-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate?
The IUPAC name of 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate (CID 23561926) is 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate.
What is the SMILES notation for 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate?
The canonical SMILES for 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate is CCC(C)C(=O)OC(C)C1CCOC1=O.
What is the InChIKey of 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate?
The InChIKey is RSSWBUAQNXIILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-7(2)10(12)15-8(3)9-5-6-14-11(9)13/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate?
1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxooxolan-3-yl)ethyl 2-methylbutanoate is sourced from PubChem (CID 23561926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).