2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate

C12H20O3 — CID 153321870

IUPAC2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)COC(CC)COC(=O)C(=C)C
InChIInChI=1S/C12H20O3/c1-6-11(14-7-9(2)3)8-15-12(13)10(4)5/h11H,2,4,6-8H2,1,3,5H3
InChIKeyUQGFWEPIZYOSEZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate

2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate (PubChem CID 153321870) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate
PubChem CID153321870
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)COC(CC)COC(=O)C(=C)C
InChIInChI=1S/C12H20O3/c1-6-11(14-7-9(2)3)8-15-12(13)10(4)5/h11H,2,4,6-8H2,1,3,5H3
InChIKeyUQGFWEPIZYOSEZ-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate (CID 153321870) is 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate is C=C(C)COC(CC)COC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate?
The InChIKey is UQGFWEPIZYOSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-6-11(14-7-9(2)3)8-15-12(13)10(4)5/h11H,2,4,6-8H2,1,3,5H3.
What are the key properties of 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate?
2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 153321870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).