(5-butanoyloxyoxolan-2-yl)methyl butanoate

C13H22O5 — CID 144971535

IUPAC(5-butanoyloxyoxolan-2-yl)methyl butanoate
SMILESCCCC(=O)OCC1CCC(OC(=O)CCC)O1
InChIInChI=1S/C13H22O5/c1-3-5-11(14)16-9-10-7-8-13(17-10)18-12(15)6-4-2/h10,13H,3-9H2,1-2H3
InChIKeyPGSWVEWOLBROKJ-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.18
Rot. Bonds7

About (5-butanoyloxyoxolan-2-yl)methyl butanoate

(5-butanoyloxyoxolan-2-yl)methyl butanoate (PubChem CID 144971535) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is (5-butanoyloxyoxolan-2-yl)methyl butanoate.

Molecular Properties

Compound Name(5-butanoyloxyoxolan-2-yl)methyl butanoate
PubChem CID144971535
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name(5-butanoyloxyoxolan-2-yl)methyl butanoate
SMILESCCCC(=O)OCC1CCC(OC(=O)CCC)O1
InChIInChI=1S/C13H22O5/c1-3-5-11(14)16-9-10-7-8-13(17-10)18-12(15)6-4-2/h10,13H,3-9H2,1-2H3
InChIKeyPGSWVEWOLBROKJ-UHFFFAOYSA-N
XLogP2.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
[(2S,5S)-5-[[2-(dimethylamino)acetyl]oxymethyl]oxolan-2-yl] tetradecanoate
CID 165379570
[(2S,5S)-5-[3-(dimethylamino)propanoyloxymethyl]oxolan-2-yl] hexadecanoate;bis(hexadecanoic acid)
CID 167633147
oxetan-2-ylmethyl butanoate
CID 150335397
[5-(butoxycarbonyloxymethyl)oxolan-2-yl] butyl carbonate
CID 90713829
[(2S,5S)-5-[3-(dimethylamino)propanoyloxy]oxolan-2-yl]methyl 3-(dimethylamino)propanoate;bis((9Z,12Z)-octadeca-9,12-dien-1-ol)
CID 167690388
[(2R,3R,4R)-3,4,5-tri(butanoyloxy)oxolan-2-yl]methyl butanoate
CID 130188370
[(2S,5S)-5-(iodomethyl)oxolan-2-yl]methyl pentanoate
CID 118183523
[(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
CID 3079328
[5-[4-(dimethylamino)butanoyloxymethyl]oxolan-2-yl] 7-methyloctanoate;bis(7-methyloctanoic acid)
CID 153365367
[(2S,5R)-5-(9-octoxynonoxy)oxolan-2-yl]methyl 3-(dimethylamino)propanoate
CID 165379758
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213

Frequently Asked Questions

What is the IUPAC name of (5-butanoyloxyoxolan-2-yl)methyl butanoate?
The IUPAC name of (5-butanoyloxyoxolan-2-yl)methyl butanoate (CID 144971535) is (5-butanoyloxyoxolan-2-yl)methyl butanoate.
What is the SMILES notation for (5-butanoyloxyoxolan-2-yl)methyl butanoate?
The canonical SMILES for (5-butanoyloxyoxolan-2-yl)methyl butanoate is CCCC(=O)OCC1CCC(OC(=O)CCC)O1.
What is the InChIKey of (5-butanoyloxyoxolan-2-yl)methyl butanoate?
The InChIKey is PGSWVEWOLBROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-3-5-11(14)16-9-10-7-8-13(17-10)18-12(15)6-4-2/h10,13H,3-9H2,1-2H3.
What are the key properties of (5-butanoyloxyoxolan-2-yl)methyl butanoate?
(5-butanoyloxyoxolan-2-yl)methyl butanoate has a molecular weight of 258.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butanoyloxyoxolan-2-yl)methyl butanoate is sourced from PubChem (CID 144971535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).