ethenyl 2-(4-tert-butylphenyl)acetate

C14H18O2 — CID 141004101

IUPACethenyl 2-(4-tert-butylphenyl)acetate
SMILESC=COC(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyWGDZSDLBSJQCOU-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.21
Rot. Bonds3

About ethenyl 2-(4-tert-butylphenyl)acetate

ethenyl 2-(4-tert-butylphenyl)acetate (PubChem CID 141004101) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethenyl 2-(4-tert-butylphenyl)acetate.

Molecular Properties

Compound Nameethenyl 2-(4-tert-butylphenyl)acetate
PubChem CID141004101
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethenyl 2-(4-tert-butylphenyl)acetate
SMILESC=COC(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyWGDZSDLBSJQCOU-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(4-tert-butylphenyl)acetate?
The IUPAC name of ethenyl 2-(4-tert-butylphenyl)acetate (CID 141004101) is ethenyl 2-(4-tert-butylphenyl)acetate.
What is the SMILES notation for ethenyl 2-(4-tert-butylphenyl)acetate?
The canonical SMILES for ethenyl 2-(4-tert-butylphenyl)acetate is C=COC(=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethenyl 2-(4-tert-butylphenyl)acetate?
The InChIKey is WGDZSDLBSJQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h5-9H,1,10H2,2-4H3.
What are the key properties of ethenyl 2-(4-tert-butylphenyl)acetate?
ethenyl 2-(4-tert-butylphenyl)acetate has a molecular weight of 218.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(4-tert-butylphenyl)acetate is sourced from PubChem (CID 141004101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).