[3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate

C13H18O5 — CID 123464826

IUPAC[3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCOCC1OC(=O)C(=C)C
InChIInChI=1S/C13H18O5/c1-8(2)12(14)17-10-5-6-16-7-11(10)18-13(15)9(3)4/h10-11H,1,3,5-7H2,2,4H3
InChIKeyNEHZGDBVSNEDEH-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.38
Rot. Bonds4

About [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate

[3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate (PubChem CID 123464826) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate
PubChem CID123464826
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name[3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCOCC1OC(=O)C(=C)C
InChIInChI=1S/C13H18O5/c1-8(2)12(14)17-10-5-6-16-7-11(10)18-13(15)9(3)4/h10-11H,1,3,5-7H2,2,4H3
InChIKeyNEHZGDBVSNEDEH-UHFFFAOYSA-N
XLogP1.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate?
The IUPAC name of [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate (CID 123464826) is [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCOCC1OC(=O)C(=C)C.
What is the InChIKey of [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate?
The InChIKey is NEHZGDBVSNEDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-8(2)12(14)17-10-5-6-16-7-11(10)18-13(15)9(3)4/h10-11H,1,3,5-7H2,2,4H3.
What are the key properties of [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate?
[3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 123464826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).