tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate

C13H24O4 — CID 14434697

IUPACtert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
SMILESCC1CC(CC(=O)OC(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C13H24O4/c1-9-7-10(16-13(5,6)15-9)8-11(14)17-12(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyGRAJYTBRQATLDQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate

tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate (PubChem CID 14434697) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
PubChem CID14434697
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nametert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
SMILESCC1CC(CC(=O)OC(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C13H24O4/c1-9-7-10(16-13(5,6)15-9)8-11(14)17-12(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyGRAJYTBRQATLDQ-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate?
The IUPAC name of tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate (CID 14434697) is tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate?
The canonical SMILES for tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate is CC1CC(CC(=O)OC(C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate?
The InChIKey is GRAJYTBRQATLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-9-7-10(16-13(5,6)15-9)8-11(14)17-12(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate?
tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate has a molecular weight of 244.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate is sourced from PubChem (CID 14434697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).