oxetan-3-yl pentanoate

C8H14O3 — CID 54206985

IUPACoxetan-3-yl pentanoate
SMILESCCCCC(=O)OC1COC1
InChIInChI=1S/C8H14O3/c1-2-3-4-8(9)11-7-5-10-6-7/h7H,2-6H2,1H3
InChIKeyMOYWPSJFOSBTKJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds4

About oxetan-3-yl pentanoate

oxetan-3-yl pentanoate (PubChem CID 54206985) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is oxetan-3-yl pentanoate.

Molecular Properties

Compound Nameoxetan-3-yl pentanoate
PubChem CID54206985
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameoxetan-3-yl pentanoate
SMILESCCCCC(=O)OC1COC1
InChIInChI=1S/C8H14O3/c1-2-3-4-8(9)11-7-5-10-6-7/h7H,2-6H2,1H3
InChIKeyMOYWPSJFOSBTKJ-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

(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
oxetan-3-yl 7-aminoheptanoate
CID 102606717
6-O-(1,3-dioxan-5-yl) 1-O-ethyl hexanedioate
CID 141453634
cyclopropyl decanoate
CID 154321154
[(3R,5S)-5-hexanoyloxy-4-hydroxyoxan-3-yl] hexanoate
CID 129219687
piperidin-4-yl pentanoate
CID 45091374
cyclobutyl pentadecanoate
CID 46229794
1-O-butyl 3-O-(1,3-dioxan-5-yl) propanedioate
CID 141453632
(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
CID 77273169
[(3R)-oxolan-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
CID 155456376
5-O-(1,3-dioxan-5-yl) 1-O-(2-methylpropyl) pentanedioate
CID 141453639
[4,6-di(octanoyloxy)-1,3,5-trioxan-2-yl] octanoate
CID 58711194

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl pentanoate?
The IUPAC name of oxetan-3-yl pentanoate (CID 54206985) is oxetan-3-yl pentanoate.
What is the SMILES notation for oxetan-3-yl pentanoate?
The canonical SMILES for oxetan-3-yl pentanoate is CCCCC(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl pentanoate?
The InChIKey is MOYWPSJFOSBTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-8(9)11-7-5-10-6-7/h7H,2-6H2,1H3.
What are the key properties of oxetan-3-yl pentanoate?
oxetan-3-yl pentanoate 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-3-yl pentanoate is sourced from PubChem (CID 54206985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).