1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C18H22O8 — CID 91804645

IUPAC1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C18H22O8/c1-9(2)13(19)23-17(24-14(20)10(3)4)18(25-15(21)11(5)6)26-16(22)12(7)8/h17-18H,1,3,5,7H2,2,4,6,8H3
InChIKeyNPRBIRVZRVZROT-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.12
Rot. Bonds9

About 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 91804645) has the molecular formula C18H22O8 and a molecular weight of 366.37 g/mol. Its IUPAC name is 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID91804645
Molecular FormulaC18H22O8
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC(=O)C(=C)C)C(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C18H22O8/c1-9(2)13(19)23-17(24-14(20)10(3)4)18(25-15(21)11(5)6)26-16(22)12(7)8/h17-18H,1,3,5,7H2,2,4,6,8H3
InChIKeyNPRBIRVZRVZROT-UHFFFAOYSA-N
XLogP2.12
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.12
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'}

Analyze 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 91804645) is 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC(=O)C(=C)C)C(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is NPRBIRVZRVZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O8/c1-9(2)13(19)23-17(24-14(20)10(3)4)18(25-15(21)11(5)6)26-16(22)12(7)8/h17-18H,1,3,5,7H2,2,4,6,8H3.
What are the key properties of 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 366.37 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tris(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 91804645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).