oxetan-3-yl 2-ethenoxyacetate

C7H10O4 — CID 20688892

IUPACoxetan-3-yl 2-ethenoxyacetate
SMILESC=COCC(=O)OC1COC1
InChIInChI=1S/C7H10O4/c1-2-9-5-7(8)11-6-3-10-4-6/h2,6H,1,3-5H2
InChIKeyVSNIWXPZLBVFPN-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.09
Rot. Bonds4

About oxetan-3-yl 2-ethenoxyacetate

oxetan-3-yl 2-ethenoxyacetate (PubChem CID 20688892) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is oxetan-3-yl 2-ethenoxyacetate.

Molecular Properties

Compound Nameoxetan-3-yl 2-ethenoxyacetate
PubChem CID20688892
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameoxetan-3-yl 2-ethenoxyacetate
SMILESC=COCC(=O)OC1COC1
InChIInChI=1S/C7H10O4/c1-2-9-5-7(8)11-6-3-10-4-6/h2,6H,1,3-5H2
InChIKeyVSNIWXPZLBVFPN-UHFFFAOYSA-N
XLogP0.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

oxetan-3-yl pentanoate
CID 54206985
oxetan-3-yl 7-aminoheptanoate
CID 102606717
oxetan-3-yl 3-aminobutanoate
CID 102606904
oxetan-3-yl 2-(2-methoxyethylamino)acetate
CID 102606673
oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
CID 102606699
cyclohexyl 5-ethenoxypentanoate
CID 57037035
oxetan-3-yl N-aminocarbamate
CID 67681212
lithium 2-ethenoxyacetate
CID 172773108
3-O-(1,3-dioxan-5-yl) 1-O-ethyl propanedioate
CID 141453669
oxetan-3-yl 2-amino-3-methylpentanoate
CID 102606938
oxetan-3-yl 2-amino-2-ethylbutanoate
CID 102606805
oxetan-3-yl (2S)-2-amino-4-methylpentanoate
CID 102606734

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 2-ethenoxyacetate?
The IUPAC name of oxetan-3-yl 2-ethenoxyacetate (CID 20688892) is oxetan-3-yl 2-ethenoxyacetate.
What is the SMILES notation for oxetan-3-yl 2-ethenoxyacetate?
The canonical SMILES for oxetan-3-yl 2-ethenoxyacetate is C=COCC(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 2-ethenoxyacetate?
The InChIKey is VSNIWXPZLBVFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-9-5-7(8)11-6-3-10-4-6/h2,6H,1,3-5H2.
What are the key properties of oxetan-3-yl 2-ethenoxyacetate?
oxetan-3-yl 2-ethenoxyacetate has a molecular weight of 158.15 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2-ethenoxyacetate is sourced from PubChem (CID 20688892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).