2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate

C27H26O4 — CID 157298221

IUPAC2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2.C4H6O2/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;1-3(2)4(5)6/h3-17H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyBBOYOKUOWVIQKU-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.74
Rot. Bonds6

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

2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate (PubChem CID 157298221) has the molecular formula C27H26O4 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
PubChem CID157298221
Molecular FormulaC27H26O4
Molecular Weight414.50 g/mol
Exact Mass414.18
IUPAC Name2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2.C4H6O2/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;1-3(2)4(5)6/h3-17H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyBBOYOKUOWVIQKU-UHFFFAOYSA-N
XLogP5.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.74
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

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CID 174941434
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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
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CID 175145896
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
benzyl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 20574609
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
biphenylene;2-methylprop-2-enoic acid
CID 174864090

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate (CID 157298221) is 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate?
The InChIKey is BBOYOKUOWVIQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2.C4H6O2/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;1-3(2)4(5)6/h3-17H,1H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate?
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate has a molecular weight of 414.50 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate is sourced from PubChem (CID 157298221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).