[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate

C10H14O5 — CID 145325243

IUPAC[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(COC=O)COC1
InChIInChI=1S/C10H14O5/c1-8(2)9(12)15-6-10(3-13-4-10)5-14-7-11/h7H,1,3-6H2,2H3
InChIKeyOHDRJYIVMMIOBR-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.30
Rot. Bonds6

About [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate

[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate (PubChem CID 145325243) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate
PubChem CID145325243
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(COC=O)COC1
InChIInChI=1S/C10H14O5/c1-8(2)9(12)15-6-10(3-13-4-10)5-14-7-11/h7H,1,3-6H2,2H3
InChIKeyOHDRJYIVMMIOBR-UHFFFAOYSA-N
XLogP0.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate (CID 145325243) is [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(COC=O)COC1.
What is the InChIKey of [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate?
The InChIKey is OHDRJYIVMMIOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-8(2)9(12)15-6-10(3-13-4-10)5-14-7-11/h7H,1,3-6H2,2H3.
What are the key properties of [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate?
[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 145325243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).