prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

C11H16O4 — CID 88880309

IUPACprop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=CCOC(=O)C(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C11H16O4/c1-6-7-14-10(13)11(4,5)15-9(12)8(2)3/h6H,1-2,7H2,3-5H3
InChIKeyGXNBWZQTCAEUDF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds5

About prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (PubChem CID 88880309) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
PubChem CID88880309
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameprop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=CCOC(=O)C(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C11H16O4/c1-6-7-14-10(13)11(4,5)15-9(12)8(2)3/h6H,1-2,7H2,3-5H3
InChIKeyGXNBWZQTCAEUDF-UHFFFAOYSA-N
XLogP1.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The IUPAC name of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (CID 88880309) is prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.
What is the SMILES notation for prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The canonical SMILES for prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is C=CCOC(=O)C(C)(C)OC(=O)C(=C)C.
What is the InChIKey of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The InChIKey is GXNBWZQTCAEUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-7-14-10(13)11(4,5)15-9(12)8(2)3/h6H,1-2,7H2,3-5H3.
What are the key properties of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate has a molecular weight of 212.24 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is sourced from PubChem (CID 88880309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).