2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate

C11H18O4 — CID 19738332

IUPAC2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1CCCCO1
InChIInChI=1S/C11H18O4/c1-9(2)11(12)15-8-7-14-10-5-3-4-6-13-10/h10H,1,3-8H2,2H3
InChIKeyZVSJTZDSQBQYFL-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

About 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate

2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate (PubChem CID 19738332) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate
PubChem CID19738332
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1CCCCO1
InChIInChI=1S/C11H18O4/c1-9(2)11(12)15-8-7-14-10-5-3-4-6-13-10/h10H,1,3-8H2,2H3
InChIKeyZVSJTZDSQBQYFL-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate (CID 19738332) is 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is ZVSJTZDSQBQYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(2)11(12)15-8-7-14-10-5-3-4-6-13-10/h10H,1,3-8H2,2H3.
What are the key properties of 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate?
2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19738332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).