tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate

C17H20O8 — CID 118360966

IUPACtris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C17H20O8/c1-9(2)13(18)22-17(23-14(19)10(3)4,24-15(20)11(5)6)25-16(21)12(7)8/h1,3,5,7H2,2,4,6,8H3
InChIKeyCJZUAHIXLFKZBU-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.07
Rot. Bonds8

About tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate

tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate (PubChem CID 118360966) has the molecular formula C17H20O8 and a molecular weight of 352.34 g/mol. Its IUPAC name is tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate
PubChem CID118360966
Molecular FormulaC17H20O8
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Nametris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C17H20O8/c1-9(2)13(18)22-17(23-14(19)10(3)4,24-15(20)11(5)6)25-16(21)12(7)8/h1,3,5,7H2,2,4,6,8H3
InChIKeyCJZUAHIXLFKZBU-UHFFFAOYSA-N
XLogP2.07
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate?
The IUPAC name of tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate (CID 118360966) is tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate.
What is the SMILES notation for tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate?
The canonical SMILES for tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC(=O)C(=C)C)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate?
The InChIKey is CJZUAHIXLFKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O8/c1-9(2)13(18)22-17(23-14(19)10(3)4,24-15(20)11(5)6)25-16(21)12(7)8/h1,3,5,7H2,2,4,6,8H3.
What are the key properties of tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate?
tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate has a molecular weight of 352.34 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylprop-2-enoyloxy)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 118360966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).