acetic acid;trityl 2-methylprop-2-enoate

C25H24O4 — CID 174941434

IUPACacetic acid;trityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)O
InChIInChI=1S/C23H20O2.C2H4O2/c1-18(2)22(24)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2(3)4/h3-17H,1H2,2H3;1H3,(H,3,4)
InChIKeyCZRJEXGUNOFTRS-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.19
Rot. Bonds5

About acetic acid;trityl 2-methylprop-2-enoate

acetic acid;trityl 2-methylprop-2-enoate (PubChem CID 174941434) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is acetic acid;trityl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameacetic acid;trityl 2-methylprop-2-enoate
PubChem CID174941434
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Nameacetic acid;trityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)O
InChIInChI=1S/C23H20O2.C2H4O2/c1-18(2)22(24)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2(3)4/h3-17H,1H2,2H3;1H3,(H,3,4)
InChIKeyCZRJEXGUNOFTRS-UHFFFAOYSA-N
XLogP5.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
ethane;isocyanic acid;trityl 2-methylprop-2-enoate
CID 174509512
2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate
CID 159239644
tris(4-methylphenyl) phosphate;trityl 2-methylprop-2-enoate
CID 174432388
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
bis[bis[4-(dimethylamino)phenyl]-phenylmethyl] oxalate
CID 139713541
1-O-acetyl 2-O-(2-methylprop-2-enoyl) 3-O-trityl 2-hydroxypropane-1,2,3-tricarboxylate
CID 174813629
[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate
CID 101089471
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351

Frequently Asked Questions

What is the IUPAC name of acetic acid;trityl 2-methylprop-2-enoate?
The IUPAC name of acetic acid;trityl 2-methylprop-2-enoate (CID 174941434) is acetic acid;trityl 2-methylprop-2-enoate.
What is the SMILES notation for acetic acid;trityl 2-methylprop-2-enoate?
The canonical SMILES for acetic acid;trityl 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)O.
What is the InChIKey of acetic acid;trityl 2-methylprop-2-enoate?
The InChIKey is CZRJEXGUNOFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2.C2H4O2/c1-18(2)22(24)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2(3)4/h3-17H,1H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;trityl 2-methylprop-2-enoate?
acetic acid;trityl 2-methylprop-2-enoate has a molecular weight of 388.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;trityl 2-methylprop-2-enoate is sourced from PubChem (CID 174941434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).