2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate

C11H16O4 — CID 19428976

IUPAC2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C11H16O4/c1-7(2)9(12)14-11(5,6)15-10(13)8(3)4/h1,3H2,2,4-6H3
InChIKeyNIRGKKDBRNHLTN-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.96
Rot. Bonds4

About 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate

2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate (PubChem CID 19428976) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
PubChem CID19428976
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C11H16O4/c1-7(2)9(12)14-11(5,6)15-10(13)8(3)4/h1,3H2,2,4-6H3
InChIKeyNIRGKKDBRNHLTN-UHFFFAOYSA-N
XLogP1.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.96
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 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate (CID 19428976) is 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)OC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is NIRGKKDBRNHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(2)9(12)14-11(5,6)15-10(13)8(3)4/h1,3H2,2,4-6H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate?
2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 19428976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).