oxetan-2-ylmethyl butanoate

C8H14O3 — CID 150335397

IUPACoxetan-2-ylmethyl butanoate
SMILESCCCC(=O)OCC1CCO1
InChIInChI=1S/C8H14O3/c1-2-3-8(9)11-6-7-4-5-10-7/h7H,2-6H2,1H3
InChIKeyGQODVMWKCURDOV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds4

About oxetan-2-ylmethyl butanoate

oxetan-2-ylmethyl butanoate (PubChem CID 150335397) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is oxetan-2-ylmethyl butanoate.

Molecular Properties

Compound Nameoxetan-2-ylmethyl butanoate
PubChem CID150335397
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameoxetan-2-ylmethyl butanoate
SMILESCCCC(=O)OCC1CCO1
InChIInChI=1S/C8H14O3/c1-2-3-8(9)11-6-7-4-5-10-7/h7H,2-6H2,1H3
InChIKeyGQODVMWKCURDOV-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
(5-butanoyloxyoxolan-2-yl)methyl butanoate
CID 144971535
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
(3-ethyloxetan-2-yl)methyl butanoate
CID 141089852
[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
CID 23256152

Frequently Asked Questions

What is the IUPAC name of oxetan-2-ylmethyl butanoate?
The IUPAC name of oxetan-2-ylmethyl butanoate (CID 150335397) is oxetan-2-ylmethyl butanoate.
What is the SMILES notation for oxetan-2-ylmethyl butanoate?
The canonical SMILES for oxetan-2-ylmethyl butanoate is CCCC(=O)OCC1CCO1.
What is the InChIKey of oxetan-2-ylmethyl butanoate?
The InChIKey is GQODVMWKCURDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-8(9)11-6-7-4-5-10-7/h7H,2-6H2,1H3.
What are the key properties of oxetan-2-ylmethyl butanoate?
oxetan-2-ylmethyl butanoate has a molecular weight of 158.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-ylmethyl butanoate is sourced from PubChem (CID 150335397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).