[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate

C36H34O5 — CID 174279576

IUPAC[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCC(OC(=O)C(=C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H34O5/c1-27(2)33(37)40-35(29-17-9-5-10-18-29,30-19-11-6-12-20-30)25-39-26-36(41-34(38)28(3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24H,1,3,25-26H2,2,4H3
InChIKeyPIUWGNJBNNOFNS-UHFFFAOYSA-N
MW546.66 g/mol
LogP7.13
Rot. Bonds12

About [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate

[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate (PubChem CID 174279576) has the molecular formula C36H34O5 and a molecular weight of 546.66 g/mol. Its IUPAC name is [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
PubChem CID174279576
Molecular FormulaC36H34O5
Molecular Weight546.66 g/mol
Exact Mass546.24
IUPAC Name[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCC(OC(=O)C(=C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H34O5/c1-27(2)33(37)40-35(29-17-9-5-10-18-29,30-19-11-6-12-20-30)25-39-26-36(41-34(38)28(3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24H,1,3,25-26H2,2,4H3
InChIKeyPIUWGNJBNNOFNS-UHFFFAOYSA-N
XLogP7.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium
CID 172837062
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium
CID 172717545
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
ethane;isocyanic acid;trityl 2-methylprop-2-enoate
CID 174509512
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate
CID 159239644
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510
[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 145284155
tris(4-methylphenyl) phosphate;trityl 2-methylprop-2-enoate
CID 174432388

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate (CID 174279576) is [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(COCC(OC(=O)C(=C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate?
The InChIKey is PIUWGNJBNNOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O5/c1-27(2)33(37)40-35(29-17-9-5-10-18-29,30-19-11-6-12-20-30)25-39-26-36(41-34(38)28(3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24H,1,3,25-26H2,2,4H3.
What are the key properties of [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate?
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate has a molecular weight of 546.66 g/mol, XLogP of 7.13, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 174279576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).