[2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate

C17H24O6 — CID 130252606

IUPAC[2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate
SMILESC=CC(=O)COC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C17H24O6/c1-7-14(18)9-23-17(8-2,10-21-15(19)12(3)4)11-22-16(20)13(5)6/h7H,1,3,5,8-11H2,2,4,6H3
InChIKeyARADLURXJYCVJX-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.15
Rot. Bonds11

About [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate (PubChem CID 130252606) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate
PubChem CID130252606
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate
SMILESC=CC(=O)COC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C17H24O6/c1-7-14(18)9-23-17(8-2,10-21-15(19)12(3)4)11-22-16(20)13(5)6/h7H,1,3,5,8-11H2,2,4,6H3
InChIKeyARADLURXJYCVJX-UHFFFAOYSA-N
XLogP2.15
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate (CID 130252606) is [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate is C=CC(=O)COC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate?
The InChIKey is ARADLURXJYCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-7-14(18)9-23-17(8-2,10-21-15(19)12(3)4)11-22-16(20)13(5)6/h7H,1,3,5,8-11H2,2,4,6H3.
What are the key properties of [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate has a molecular weight of 324.37 g/mol, XLogP of 2.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 130252606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).