2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate

C17H24O2 — CID 118193786

IUPAC2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24O2/c1-12(2)15(18)19-17(6,7)14-10-8-13(9-11-14)16(3,4)5/h8-11H,1H2,2-7H3
InChIKeyDAEOYDRIOUCGIW-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds3

About 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate

2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 118193786) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID118193786
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24O2/c1-12(2)15(18)19-17(6,7)14-10-8-13(9-11-14)16(3,4)5/h8-11H,1H2,2-7H3
InChIKeyDAEOYDRIOUCGIW-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510
1-tert-butyl-4-ethenylbenzene;trifluoromethyl 2-methylprop-2-enoate
CID 158477924
[2-methyl-4-[2-[4-[2-[4-[2-[3-methyl-3-(2-methylprop-2-enoyloxy)butoxy]propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 89135330
2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 58734392
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-ethenylphenol;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate
CID 89466456
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
[2,4-dimethyl-3-(4-methylphenyl)pentan-3-yl] 2-methylprop-2-enoate
CID 89476156
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
2-phenanthren-1-ylpropan-2-yl 2-methylprop-2-enoate
CID 177106309
[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 89476158
2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 126760815

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate (CID 118193786) is 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is DAEOYDRIOUCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)15(18)19-17(6,7)14-10-8-13(9-11-14)16(3,4)5/h8-11H,1H2,2-7H3.
What are the key properties of 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate?
2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 260.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 118193786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).