1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C10H14O4 — CID 21226384

IUPAC1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)C(=C)C
InChIInChI=1S/C10H14O4/c1-6(2)9(11)13-8(5)14-10(12)7(3)4/h8H,1,3H2,2,4-5H3
InChIKeyCARZNHSZGXCIJM-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.57
Rot. Bonds4

About 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 21226384) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID21226384
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)C(=C)C
InChIInChI=1S/C10H14O4/c1-6(2)9(11)13-8(5)14-10(12)7(3)4/h8H,1,3H2,2,4-5H3
InChIKeyCARZNHSZGXCIJM-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 21226384) is 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is CARZNHSZGXCIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(2)9(11)13-8(5)14-10(12)7(3)4/h8H,1,3H2,2,4-5H3.
What are the key properties of 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21226384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).