2-methylprop-2-enyl 2,2-diphenylacetate

C18H18O2 — CID 135086240

IUPAC2-methylprop-2-enyl 2,2-diphenylacetate
SMILESC=C(C)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-14(2)13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1,13H2,2H3
InChIKeyDAEYAGIAXHJCFC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.94
Rot. Bonds5

About 2-methylprop-2-enyl 2,2-diphenylacetate

2-methylprop-2-enyl 2,2-diphenylacetate (PubChem CID 135086240) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methylprop-2-enyl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-methylprop-2-enyl 2,2-diphenylacetate
PubChem CID135086240
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-methylprop-2-enyl 2,2-diphenylacetate
SMILESC=C(C)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-14(2)13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1,13H2,2H3
InChIKeyDAEYAGIAXHJCFC-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
phenacyl 2,2-diphenylacetate
CID 597416
2-methylprop-2-enyl (2S)-2-amino-3-phenylpropanoate
CID 139918621
2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
CID 101401204
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956
2-methylprop-2-enyl hydrogen carbonate;toluene
CID 70618978
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 2520789
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(2S)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846537
[(2R)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846538
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 2,2-diphenylacetate?
The IUPAC name of 2-methylprop-2-enyl 2,2-diphenylacetate (CID 135086240) is 2-methylprop-2-enyl 2,2-diphenylacetate.
What is the SMILES notation for 2-methylprop-2-enyl 2,2-diphenylacetate?
The canonical SMILES for 2-methylprop-2-enyl 2,2-diphenylacetate is C=C(C)COC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enyl 2,2-diphenylacetate?
The InChIKey is DAEYAGIAXHJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-14(2)13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1,13H2,2H3.
What are the key properties of 2-methylprop-2-enyl 2,2-diphenylacetate?
2-methylprop-2-enyl 2,2-diphenylacetate has a molecular weight of 266.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 2,2-diphenylacetate is sourced from PubChem (CID 135086240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).