ethyl 2-(oxolan-3-yl)butanoate

C10H18O3 — CID 135038754

IUPACethyl 2-(oxolan-3-yl)butanoate
SMILESCCOC(=O)C(CC)C1CCOC1
InChIInChI=1S/C10H18O3/c1-3-9(10(11)13-4-2)8-5-6-12-7-8/h8-9H,3-7H2,1-2H3
InChIKeyJEGGZHOXKSNJTK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds4

About ethyl 2-(oxolan-3-yl)butanoate

ethyl 2-(oxolan-3-yl)butanoate (PubChem CID 135038754) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(oxolan-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(oxolan-3-yl)butanoate
PubChem CID135038754
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-(oxolan-3-yl)butanoate
SMILESCCOC(=O)C(CC)C1CCOC1
InChIInChI=1S/C10H18O3/c1-3-9(10(11)13-4-2)8-5-6-12-7-8/h8-9H,3-7H2,1-2H3
InChIKeyJEGGZHOXKSNJTK-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolan-3-yl)butanoate?
The IUPAC name of ethyl 2-(oxolan-3-yl)butanoate (CID 135038754) is ethyl 2-(oxolan-3-yl)butanoate.
What is the SMILES notation for ethyl 2-(oxolan-3-yl)butanoate?
The canonical SMILES for ethyl 2-(oxolan-3-yl)butanoate is CCOC(=O)C(CC)C1CCOC1.
What is the InChIKey of ethyl 2-(oxolan-3-yl)butanoate?
The InChIKey is JEGGZHOXKSNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-9(10(11)13-4-2)8-5-6-12-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(oxolan-3-yl)butanoate?
ethyl 2-(oxolan-3-yl)butanoate has a molecular weight of 186.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolan-3-yl)butanoate is sourced from PubChem (CID 135038754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).