tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate

C10H16O5 — CID 101097758

IUPACtert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESC[C@H]1OC(=O)OC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O5/c1-6-7(5-13-9(12)14-6)8(11)15-10(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyBFVOYBPMOLIMHS-RNFRBKRXSA-N
MW216.23 g/mol
LogP1.50
Rot. Bonds1

About tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate

tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate (PubChem CID 101097758) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate
PubChem CID101097758
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nametert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESC[C@H]1OC(=O)OC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O5/c1-6-7(5-13-9(12)14-6)8(11)15-10(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyBFVOYBPMOLIMHS-RNFRBKRXSA-N
XLogP1.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S,4S)-4-amino-5-oxooxolane-3-carboxylate
CID 67056502
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
CID 158234660
tert-butyl 4-hydroxyoxolane-3-carboxylate
CID 11412816
tert-butyl (4S,5R)-3-oxo-2-oxabicyclo[2.2.2]octane-5-carboxylate
CID 170245620
tert-butyl 2,4,5-trimethyloxolane-3-carboxylate
CID 65155560
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
tert-butyl 4-aminooxolane-3-carboxylate
CID 66239321
tert-butyl (3R)-4-oxooxolane-3-carboxylate
CID 86334856
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;9,10-dimethyl-4-oxatricyclo[6.2.1.02,7]undecan-5-one
CID 159988507
tert-butyl (2R)-2-[(4R,5R)-5-methyl-2-oxo-1,3-dioxan-4-yl]-2-phenylselanylpropanoate
CID 11069381
tert-butyl 5-methoxy-2-methylcyclohexane-1-carboxylate
CID 138719311

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate (CID 101097758) is tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate is C[C@H]1OC(=O)OC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The InChIKey is BFVOYBPMOLIMHS-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H16O5/c1-6-7(5-13-9(12)14-6)8(11)15-10(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate?
tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate is sourced from PubChem (CID 101097758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).