tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate

C28H34O4 — CID 138478047

IUPACtert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate
SMILESCC(C)c1ccccc1/C=C/C(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C28H34O4/c1-19(2)24-11-9-8-10-21(24)13-16-26(29)31-23-15-12-22(25(18-23)20(3)4)14-17-27(30)32-28(5,6)7/h8-20H,1-7H3/b16-13+,17-14+
InChIKeyXFHOQUKEKKKAEL-DISAMGIASA-N
MW434.58 g/mol
LogP6.91
Rot. Bonds7

About tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate

tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate (PubChem CID 138478047) has the molecular formula C28H34O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate
PubChem CID138478047
Molecular FormulaC28H34O4
Molecular Weight434.58 g/mol
Exact Mass434.25
IUPAC Nametert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate
SMILESCC(C)c1ccccc1/C=C/C(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C28H34O4/c1-19(2)24-11-9-8-10-21(24)13-16-26(29)31-23-15-12-22(25(18-23)20(3)4)14-17-27(30)32-28(5,6)7/h8-20H,1-7H3/b16-13+,17-14+
InChIKeyXFHOQUKEKKKAEL-DISAMGIASA-N
XLogP6.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.91
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'}

Analyze tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate (CID 138478047) is tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate is CC(C)c1ccccc1/C=C/C(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)c(C(C)C)c1.
What is the InChIKey of tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate?
The InChIKey is XFHOQUKEKKKAEL-DISAMGIASA-N. The full InChI is InChI=1S/C28H34O4/c1-19(2)24-11-9-8-10-21(24)13-16-26(29)31-23-15-12-22(25(18-23)20(3)4)14-17-27(30)32-28(5,6)7/h8-20H,1-7H3/b16-13+,17-14+.
What are the key properties of tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate?
tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate has a molecular weight of 434.58 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate is sourced from PubChem (CID 138478047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).