tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate

C16H18O4 — CID 89400379

IUPACtert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
SMILESC=CC(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H18O4/c1-5-14(17)19-13-9-6-12(7-10-13)8-11-15(18)20-16(2,3)4/h5-11H,1H2,2-4H3/b11-8+
InChIKeyAXUDFZLMBPFLLC-DHZHZOJOSA-N
MW274.32 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate

tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate (PubChem CID 89400379) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
PubChem CID89400379
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Nametert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
SMILESC=CC(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H18O4/c1-5-14(17)19-13-9-6-12(7-10-13)8-11-15(18)20-16(2,3)4/h5-11H,1H2,2-4H3/b11-8+
InChIKeyAXUDFZLMBPFLLC-DHZHZOJOSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
tert-butyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 11458639
tert-butyl 3-(4-formylphenyl)prop-2-enoate
CID 54147604
tert-butyl (E)-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 130331817
tert-butyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 101415549
tert-butyl prop-2-enoate;terephthalaldehyde
CID 174337591
tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate
CID 151965214
(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate
CID 59668527
[3-ethyl-4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 129281731
tert-butyl 3-(4-cyanophenyl)prop-2-enoate
CID 66690910
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
tert-butyl (E)-3-[4-[1,1-bis(4-acetyloxyphenyl)but-1-en-2-yl]phenyl]prop-2-enoate
CID 86623314

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate (CID 89400379) is tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate is C=CC(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate?
The InChIKey is AXUDFZLMBPFLLC-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H18O4/c1-5-14(17)19-13-9-6-12(7-10-13)8-11-15(18)20-16(2,3)4/h5-11H,1H2,2-4H3/b11-8+.
What are the key properties of tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate?
tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate is sourced from PubChem (CID 89400379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).