[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate

C16H20O2 — CID 102427830

IUPAC[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate
SMILESC=Cc1cc(C(C)(C)C)cc(C=C)c1OC(C)=O
InChIInChI=1S/C16H20O2/c1-7-12-9-14(16(4,5)6)10-13(8-2)15(12)18-11(3)17/h7-10H,1-2H2,3-6H3
InChIKeyOXJWDLYCBOQALB-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.20
Rot. Bonds3

About [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate

[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate (PubChem CID 102427830) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate.

Molecular Properties

Compound Name[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate
PubChem CID102427830
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate
SMILESC=Cc1cc(C(C)(C)C)cc(C=C)c1OC(C)=O
InChIInChI=1S/C16H20O2/c1-7-12-9-14(16(4,5)6)10-13(8-2)15(12)18-11(3)17/h7-10H,1-2H2,3-6H3
InChIKeyOXJWDLYCBOQALB-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.20
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

(2-tert-butyl-6-ethenylphenyl) acetate
CID 10704049
[2,4-ditert-butyl-6-(2-methylprop-1-enyl)phenyl] acetate
CID 59708783
[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
CID 102427831
[4-tert-butyl-2,6-di(propan-2-yl)phenyl] acetate
CID 613069
(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl) acetate
CID 139138704
2-acetyloxy-3,5-ditert-butylbenzoic acid
CID 15219417
(3-ethenyl-4,5-dimethylphenyl) acetate
CID 18976594
(3,5-ditert-butylphenyl) prop-2-enoate
CID 46835728
(3-acetyloxy-4-ethenylphenyl) 2,2-dimethylpropanoate
CID 10730185
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523
[1-(chloromethyl)-4-ethenylnaphthalen-2-yl] acetate
CID 66808309

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate?
The IUPAC name of [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate (CID 102427830) is [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate.
What is the SMILES notation for [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate?
The canonical SMILES for [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate is C=Cc1cc(C(C)(C)C)cc(C=C)c1OC(C)=O.
What is the InChIKey of [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate?
The InChIKey is OXJWDLYCBOQALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-7-12-9-14(16(4,5)6)10-13(8-2)15(12)18-11(3)17/h7-10H,1-2H2,3-6H3.
What are the key properties of [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate?
[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate has a molecular weight of 244.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate is sourced from PubChem (CID 102427830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).