ethenyl 2,2,2-triphenylacetate

C22H18O2 — CID 102123428

IUPACethenyl 2,2,2-triphenylacetate
SMILESC=COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c1-2-24-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyUFOYMTGSMASHPD-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.71
Rot. Bonds5

About ethenyl 2,2,2-triphenylacetate

ethenyl 2,2,2-triphenylacetate (PubChem CID 102123428) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethenyl 2,2,2-triphenylacetate.

Molecular Properties

Compound Nameethenyl 2,2,2-triphenylacetate
PubChem CID102123428
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Nameethenyl 2,2,2-triphenylacetate
SMILESC=COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c1-2-24-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyUFOYMTGSMASHPD-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
biphenylene;ethenyl hydrogen carbonate
CID 67591083
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
ethenyl 2-chloro-2-phenoxypropanoate
CID 139826819
ethenyl benzoate
CID 158178912
CID 69279397
CID 69279397
benzhydryl 2,2,2-triphenylacetate
CID 126186590
ethenol;2-ethenoxycarbonylbenzoic acid
CID 174432530
silyl 2-ethenyl-2-phenylbut-3-enoate
CID 123631953
prop-2-enoxymethyl 2-tritylprop-2-enoate
CID 66662871
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
N-[dihydroxy(phenyl)methyl]prop-2-enamide
CID 155683465

Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2,2-triphenylacetate?
The IUPAC name of ethenyl 2,2,2-triphenylacetate (CID 102123428) is ethenyl 2,2,2-triphenylacetate.
What is the SMILES notation for ethenyl 2,2,2-triphenylacetate?
The canonical SMILES for ethenyl 2,2,2-triphenylacetate is C=COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl 2,2,2-triphenylacetate?
The InChIKey is UFOYMTGSMASHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-2-24-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2.
What are the key properties of ethenyl 2,2,2-triphenylacetate?
ethenyl 2,2,2-triphenylacetate has a molecular weight of 314.38 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2,2-triphenylacetate is sourced from PubChem (CID 102123428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).