tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate

C17H24O3 — CID 130331815

IUPACtert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccccc1OC(C)(C)C
InChIInChI=1S/C17H24O3/c1-16(2,3)19-14-10-8-7-9-13(14)11-12-15(18)20-17(4,5)6/h7-12H,1-6H3/b12-11+
InChIKeyXFRISNCYWVDBAR-VAWYXSNFSA-N
MW276.38 g/mol
LogP4.22
Rot. Bonds3

About tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate

tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate (PubChem CID 130331815) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
PubChem CID130331815
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nametert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccccc1OC(C)(C)C
InChIInChI=1S/C17H24O3/c1-16(2,3)19-14-10-8-7-9-13(14)11-12-15(18)20-17(4,5)6/h7-12H,1-6H3/b12-11+
InChIKeyXFRISNCYWVDBAR-VAWYXSNFSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
tert-butyl (E)-3-(2-propan-2-yloxyphenyl)prop-2-enoate
CID 130331865
tert-butyl (E)-3-(2-tert-butylphenyl)prop-2-enoate
CID 89085119
tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate
CID 140807767
butyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807759
2-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]acetic acid
CID 71623527
tert-butyl (E)-3-(2-propan-2-ylsulfanylphenyl)prop-2-enoate
CID 58788884
tert-butyl (Z)-3-(2-nitrophenyl)prop-2-enoate
CID 97303826
tert-butyl (E)-3-(2-diphenylphosphanylphenyl)prop-2-enoate
CID 102157205
N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide
CID 67793429
2-ethylhexyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807720

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate (CID 130331815) is tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate is CC(C)(C)OC(=O)/C=C/c1ccccc1OC(C)(C)C.
What is the InChIKey of tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate?
The InChIKey is XFRISNCYWVDBAR-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H24O3/c1-16(2,3)19-14-10-8-7-9-13(14)11-12-15(18)20-17(4,5)6/h7-12H,1-6H3/b12-11+.
What are the key properties of tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate?
tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate has a molecular weight of 276.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate is sourced from PubChem (CID 130331815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).