trityl 2-methylprop-2-enoate

C23H20O2 — CID 12641353

IUPACtrityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/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/h3-17H,1H2,2H3
InChIKeyPTVDYMGQGCNETM-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.10
Rot. Bonds5

About trityl 2-methylprop-2-enoate

trityl 2-methylprop-2-enoate (PubChem CID 12641353) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is trityl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametrityl 2-methylprop-2-enoate
PubChem CID12641353
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Nametrityl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/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/h3-17H,1H2,2H3
InChIKeyPTVDYMGQGCNETM-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Benzyl Cinnamate
CID 5273469
2-Propenoic acid, 3-phenyl-, phenylmethyl ester
CID 7652
alpha,alpha-Dimethylbenzyl isobutyrate
CID 11830590
Dimethylbenzyl carbinyl crotonate
CID 16205756
Benzyl alcohol, cinnamate
CID 15558051
Methyl trityl ether
CID 136388
Diphenylmethyl benzoate
CID 280558
Ethyl trityl ether
CID 294563
Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
CID 76963
Nigerapyrone B
CID 53483952
nigerapyrone A
CID 53493727
Diphenylmethyl acetate
CID 274281

Frequently Asked Questions

What is the IUPAC name of trityl 2-methylprop-2-enoate?
The IUPAC name of trityl 2-methylprop-2-enoate (CID 12641353) is trityl 2-methylprop-2-enoate.
What is the SMILES notation for trityl 2-methylprop-2-enoate?
The canonical SMILES for trityl 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of trityl 2-methylprop-2-enoate?
The InChIKey is PTVDYMGQGCNETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/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/h3-17H,1H2,2H3.
What are the key properties of trityl 2-methylprop-2-enoate?
trityl 2-methylprop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trityl 2-methylprop-2-enoate is sourced from PubChem (CID 12641353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).