tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate

C15H20O3 — CID 153320452

IUPACtert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate
SMILESCCc1cccc(/C=C/OC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20O3/c1-5-12-7-6-8-13(11-12)9-10-17-14(16)18-15(2,3)4/h6-11H,5H2,1-4H3/b10-9+
InChIKeyUULWXSZGSAEFAU-MDZDMXLPSA-N
MW248.32 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate

tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate (PubChem CID 153320452) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate
PubChem CID153320452
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate
SMILESCCc1cccc(/C=C/OC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20O3/c1-5-12-7-6-8-13(11-12)9-10-17-14(16)18-15(2,3)4/h6-11H,5H2,1-4H3/b10-9+
InChIKeyUULWXSZGSAEFAU-MDZDMXLPSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate?
The IUPAC name of tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate (CID 153320452) is tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate.
What is the SMILES notation for tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate?
The canonical SMILES for tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate is CCc1cccc(/C=C/OC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate?
The InChIKey is UULWXSZGSAEFAU-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-12-7-6-8-13(11-12)9-10-17-14(16)18-15(2,3)4/h6-11H,5H2,1-4H3/b10-9+.
What are the key properties of tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate?
tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate has a molecular weight of 248.32 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(E)-2-(3-ethylphenyl)ethenyl] carbonate is sourced from PubChem (CID 153320452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).