2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate

C10H16O5 — CID 156693820

IUPAC2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1COCCO1
InChIInChI=1S/C10H16O5/c1-8(2)10(11)15-6-5-14-9-7-12-3-4-13-9/h9H,1,3-7H2,2H3
InChIKeyIJDUAOIVIKSYNF-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.50
Rot. Bonds5

About 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate

2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate (PubChem CID 156693820) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate
PubChem CID156693820
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1COCCO1
InChIInChI=1S/C10H16O5/c1-8(2)10(11)15-6-5-14-9-7-12-3-4-13-9/h9H,1,3-7H2,2H3
InChIKeyIJDUAOIVIKSYNF-UHFFFAOYSA-N
XLogP0.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-ethoxy-1,4,7-trioxonan-2-yl) 2-methylprop-2-enoate
CID 138705758
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
CID 131732609
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
bis(1,4-dioxan-2-yl) propanedioate
CID 66931654
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
2-methylidene-4-(oxiran-2-yl)butanoic acid;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 87439948

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate (CID 156693820) is 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is IJDUAOIVIKSYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-8(2)10(11)15-6-5-14-9-7-12-3-4-13-9/h9H,1,3-7H2,2H3.
What are the key properties of 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate?
2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 156693820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).