tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate

C10H14O4 — CID 11030778

IUPACtert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC(=O)C=CO1
InChIInChI=1S/C10H14O4/c1-10(2,3)14-9(12)8-6-7(11)4-5-13-8/h4-5,8H,6H2,1-3H3/t8-/m1/s1
InChIKeyXPMKSJDIFMFPRL-MRVPVSSYSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds1

About tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate

tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate (PubChem CID 11030778) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate
PubChem CID11030778
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nametert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC(=O)C=CO1
InChIInChI=1S/C10H14O4/c1-10(2,3)14-9(12)8-6-7(11)4-5-13-8/h4-5,8H,6H2,1-3H3/t8-/m1/s1
InChIKeyXPMKSJDIFMFPRL-MRVPVSSYSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate?
The IUPAC name of tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate (CID 11030778) is tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CC(=O)C=CO1.
What is the InChIKey of tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate?
The InChIKey is XPMKSJDIFMFPRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2,3)14-9(12)8-6-7(11)4-5-13-8/h4-5,8H,6H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate?
tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate is sourced from PubChem (CID 11030778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).