(3-ethyloxetan-2-yl)methyl butanoate

C10H18O3 — CID 141089852

IUPAC(3-ethyloxetan-2-yl)methyl butanoate
SMILESCCCC(=O)OCC1OCC1CC
InChIInChI=1S/C10H18O3/c1-3-5-10(11)13-7-9-8(4-2)6-12-9/h8-9H,3-7H2,1-2H3
InChIKeyIFPQFHRWTRLTFO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds5

About (3-ethyloxetan-2-yl)methyl butanoate

(3-ethyloxetan-2-yl)methyl butanoate (PubChem CID 141089852) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3-ethyloxetan-2-yl)methyl butanoate.

Molecular Properties

Compound Name(3-ethyloxetan-2-yl)methyl butanoate
PubChem CID141089852
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3-ethyloxetan-2-yl)methyl butanoate
SMILESCCCC(=O)OCC1OCC1CC
InChIInChI=1S/C10H18O3/c1-3-5-10(11)13-7-9-8(4-2)6-12-9/h8-9H,3-7H2,1-2H3
InChIKeyIFPQFHRWTRLTFO-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxetan-2-ylmethyl butanoate
CID 150335397
[(2S,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219609
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219584
[(2R,3S,4S)-3,4-dihydroxy-5-oxooxan-2-yl]methyl butanoate
CID 24885983
[(2R,3R,4R)-3,4,5-tri(butanoyloxy)oxolan-2-yl]methyl butanoate
CID 130188370
[(2S,3S,4R)-3-hexanoyloxy-4-hydroxyoxolan-2-yl]methyl hexanoate
CID 129219674
[(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
CID 3079328
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl butanoate
CID 91136467
[(2R,3S,4S,5R,6S)-3,4,5-tri(butanoyloxy)-6-methoxyoxan-2-yl]methyl butanoate
CID 146662906
[(2R,3S,4R,6S)-3-butanoyloxy-4,6-dihydroxyoxan-2-yl]methyl butanoate
CID 86272045
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
[(2R,3S,4R)-3,4-di(butanoyloxy)-6-hydroxyoxan-2-yl]methyl butanoate
CID 151310518

Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-2-yl)methyl butanoate?
The IUPAC name of (3-ethyloxetan-2-yl)methyl butanoate (CID 141089852) is (3-ethyloxetan-2-yl)methyl butanoate.
What is the SMILES notation for (3-ethyloxetan-2-yl)methyl butanoate?
The canonical SMILES for (3-ethyloxetan-2-yl)methyl butanoate is CCCC(=O)OCC1OCC1CC.
What is the InChIKey of (3-ethyloxetan-2-yl)methyl butanoate?
The InChIKey is IFPQFHRWTRLTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-10(11)13-7-9-8(4-2)6-12-9/h8-9H,3-7H2,1-2H3.
What are the key properties of (3-ethyloxetan-2-yl)methyl butanoate?
(3-ethyloxetan-2-yl)methyl butanoate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-2-yl)methyl butanoate is sourced from PubChem (CID 141089852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).