ethyl 2-(2H-oxet-2-yloxy)butanoate

C9H14O4 — CID 150040228

IUPACethyl 2-(2H-oxet-2-yloxy)butanoate
SMILESCCOC(=O)C(CC)OC1C=CO1
InChIInChI=1S/C9H14O4/c1-3-7(9(10)11-4-2)13-8-5-6-12-8/h5-8H,3-4H2,1-2H3
InChIKeyDJCWRNJWWREVRE-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.21
Rot. Bonds5

About ethyl 2-(2H-oxet-2-yloxy)butanoate

ethyl 2-(2H-oxet-2-yloxy)butanoate (PubChem CID 150040228) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 2-(2H-oxet-2-yloxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(2H-oxet-2-yloxy)butanoate
PubChem CID150040228
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 2-(2H-oxet-2-yloxy)butanoate
SMILESCCOC(=O)C(CC)OC1C=CO1
InChIInChI=1S/C9H14O4/c1-3-7(9(10)11-4-2)13-8-5-6-12-8/h5-8H,3-4H2,1-2H3
InChIKeyDJCWRNJWWREVRE-UHFFFAOYSA-N
XLogP1.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(2-aminocyclopentyl)oxybutanoate
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ethyl 2-piperidin-4-yloxypentanoate
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ethyl 2-(oxetan-3-yloxy)pentanoate
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ethyl 2-(4-methylphenoxy)butanoate
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ethyl 2,3-dimethylpentanoate
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CID 175037887
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
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ethyl 2,2-bis(sulfanyl)acetate
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ethyl 2-(oxolan-3-yloxy)pentanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2H-oxet-2-yloxy)butanoate?
The IUPAC name of ethyl 2-(2H-oxet-2-yloxy)butanoate (CID 150040228) is ethyl 2-(2H-oxet-2-yloxy)butanoate.
What is the SMILES notation for ethyl 2-(2H-oxet-2-yloxy)butanoate?
The canonical SMILES for ethyl 2-(2H-oxet-2-yloxy)butanoate is CCOC(=O)C(CC)OC1C=CO1.
What is the InChIKey of ethyl 2-(2H-oxet-2-yloxy)butanoate?
The InChIKey is DJCWRNJWWREVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-7(9(10)11-4-2)13-8-5-6-12-8/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2H-oxet-2-yloxy)butanoate?
ethyl 2-(2H-oxet-2-yloxy)butanoate has a molecular weight of 186.21 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2H-oxet-2-yloxy)butanoate is sourced from PubChem (CID 150040228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).