tert-butyl (5-oxo-2H-furan-2-yl) carbonate

C9H12O5 — CID 11074395

IUPACtert-butyl (5-oxo-2H-furan-2-yl) carbonate
SMILESCC(C)(C)OC(=O)OC1C=CC(=O)O1
InChIInChI=1S/C9H12O5/c1-9(2,3)14-8(11)13-7-5-4-6(10)12-7/h4-5,7H,1-3H3
InChIKeyBUOCQZKTTPACCW-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.38
Rot. Bonds1

About tert-butyl (5-oxo-2H-furan-2-yl) carbonate

tert-butyl (5-oxo-2H-furan-2-yl) carbonate (PubChem CID 11074395) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is tert-butyl (5-oxo-2H-furan-2-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (5-oxo-2H-furan-2-yl) carbonate
PubChem CID11074395
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Nametert-butyl (5-oxo-2H-furan-2-yl) carbonate
SMILESCC(C)(C)OC(=O)OC1C=CC(=O)O1
InChIInChI=1S/C9H12O5/c1-9(2,3)14-8(11)13-7-5-4-6(10)12-7/h4-5,7H,1-3H3
InChIKeyBUOCQZKTTPACCW-UHFFFAOYSA-N
XLogP1.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5-oxo-2H-furan-2-yl) carbonate?
The IUPAC name of tert-butyl (5-oxo-2H-furan-2-yl) carbonate (CID 11074395) is tert-butyl (5-oxo-2H-furan-2-yl) carbonate.
What is the SMILES notation for tert-butyl (5-oxo-2H-furan-2-yl) carbonate?
The canonical SMILES for tert-butyl (5-oxo-2H-furan-2-yl) carbonate is CC(C)(C)OC(=O)OC1C=CC(=O)O1.
What is the InChIKey of tert-butyl (5-oxo-2H-furan-2-yl) carbonate?
The InChIKey is BUOCQZKTTPACCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-9(2,3)14-8(11)13-7-5-4-6(10)12-7/h4-5,7H,1-3H3.
What are the key properties of tert-butyl (5-oxo-2H-furan-2-yl) carbonate?
tert-butyl (5-oxo-2H-furan-2-yl) carbonate has a molecular weight of 200.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5-oxo-2H-furan-2-yl) carbonate is sourced from PubChem (CID 11074395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).