tert-butyl (5-ethenylfuran-2-yl)methyl carbonate

C12H16O4 — CID 147536006

IUPACtert-butyl (5-ethenylfuran-2-yl)methyl carbonate
SMILESC=Cc1ccc(COC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H16O4/c1-5-9-6-7-10(15-9)8-14-11(13)16-12(2,3)4/h5-7H,1,8H2,2-4H3
InChIKeyFNYYFQAKPBJFBG-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl (5-ethenylfuran-2-yl)methyl carbonate

tert-butyl (5-ethenylfuran-2-yl)methyl carbonate (PubChem CID 147536006) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl (5-ethenylfuran-2-yl)methyl carbonate.

Molecular Properties

Compound Nametert-butyl (5-ethenylfuran-2-yl)methyl carbonate
PubChem CID147536006
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nametert-butyl (5-ethenylfuran-2-yl)methyl carbonate
SMILESC=Cc1ccc(COC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H16O4/c1-5-9-6-7-10(15-9)8-14-11(13)16-12(2,3)4/h5-7H,1,8H2,2-4H3
InChIKeyFNYYFQAKPBJFBG-UHFFFAOYSA-N
XLogP3.37
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5-ethenylfuran-2-yl)methyl carbonate?
The IUPAC name of tert-butyl (5-ethenylfuran-2-yl)methyl carbonate (CID 147536006) is tert-butyl (5-ethenylfuran-2-yl)methyl carbonate.
What is the SMILES notation for tert-butyl (5-ethenylfuran-2-yl)methyl carbonate?
The canonical SMILES for tert-butyl (5-ethenylfuran-2-yl)methyl carbonate is C=Cc1ccc(COC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl (5-ethenylfuran-2-yl)methyl carbonate?
The InChIKey is FNYYFQAKPBJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-9-6-7-10(15-9)8-14-11(13)16-12(2,3)4/h5-7H,1,8H2,2-4H3.
What are the key properties of tert-butyl (5-ethenylfuran-2-yl)methyl carbonate?
tert-butyl (5-ethenylfuran-2-yl)methyl carbonate has a molecular weight of 224.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5-ethenylfuran-2-yl)methyl carbonate is sourced from PubChem (CID 147536006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).