(2-tert-butyl-6-ethenylphenyl) acetate

C14H18O2 — CID 10704049

IUPAC(2-tert-butyl-6-ethenylphenyl) acetate
SMILESC=Cc1cccc(C(C)(C)C)c1OC(C)=O
InChIInChI=1S/C14H18O2/c1-6-11-8-7-9-12(14(3,4)5)13(11)16-10(2)15/h6-9H,1H2,2-5H3
InChIKeyXYURHSVQGDGDCP-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.55
Rot. Bonds2

About (2-tert-butyl-6-ethenylphenyl) acetate

(2-tert-butyl-6-ethenylphenyl) acetate (PubChem CID 10704049) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-tert-butyl-6-ethenylphenyl) acetate.

Molecular Properties

Compound Name(2-tert-butyl-6-ethenylphenyl) acetate
PubChem CID10704049
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2-tert-butyl-6-ethenylphenyl) acetate
SMILESC=Cc1cccc(C(C)(C)C)c1OC(C)=O
InChIInChI=1S/C14H18O2/c1-6-11-8-7-9-12(14(3,4)5)13(11)16-10(2)15/h6-9H,1H2,2-5H3
InChIKeyXYURHSVQGDGDCP-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine
CID 145139423
[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate
CID 102427830
(3-tert-butyl-2-ethenoxy-6-prop-2-enoylphenyl) acetate
CID 140988034
(3,6-ditert-butyl-2-formylphenyl) acetate
CID 11219619
benzene;(2-ethenylphenyl) acetate
CID 175577038
[2-(benzotriazol-2-yl)-6-tert-butylphenyl] acetate
CID 57023113
(2-tert-butyl-6-methylphenyl) 2-methylprop-2-enoate;ethane;prop-1-ene
CID 177153144
[2,4-ditert-butyl-6-(2-methylprop-1-enyl)phenyl] acetate
CID 59708783
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
CID 102427831
(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
CID 130657894
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-ethenylphenyl) acetate?
The IUPAC name of (2-tert-butyl-6-ethenylphenyl) acetate (CID 10704049) is (2-tert-butyl-6-ethenylphenyl) acetate.
What is the SMILES notation for (2-tert-butyl-6-ethenylphenyl) acetate?
The canonical SMILES for (2-tert-butyl-6-ethenylphenyl) acetate is C=Cc1cccc(C(C)(C)C)c1OC(C)=O.
What is the InChIKey of (2-tert-butyl-6-ethenylphenyl) acetate?
The InChIKey is XYURHSVQGDGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-6-11-8-7-9-12(14(3,4)5)13(11)16-10(2)15/h6-9H,1H2,2-5H3.
What are the key properties of (2-tert-butyl-6-ethenylphenyl) acetate?
(2-tert-butyl-6-ethenylphenyl) acetate has a molecular weight of 218.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-ethenylphenyl) acetate is sourced from PubChem (CID 10704049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).