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

C13H24O4 — CID 14434698

IUPACtert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate
SMILESC[C@@H]1C[C@H](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/t9-,10-/m1/s1
InChIKeyGRAJYTBRQATLDQ-NXEZZACHSA-N
MW244.33 g/mol
LogP2.65
Rot. Bonds2

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

tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 14434698) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate
PubChem CID14434698
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nametert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate
SMILESC[C@@H]1C[C@H](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/t9-,10-/m1/s1
InChIKeyGRAJYTBRQATLDQ-NXEZZACHSA-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

Analyze tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate
CID 9816650
tert-Butyl 3,5-dideoxy-2,4-O-(1-methylethylidene)-L-erythro-hexuronate
CID 9881588
(4R-cis)-6-[(Acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl ester
CID 9839384
tert-butyl 2-[(4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 9835373
tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate
CID 134854540
3,5-Dideoxy-2,4-O-(1-methylethylidene)-D-erythro-hexuronic Acid 1,1-Dimethylethyl Ester
CID 15614602
Isopropyl-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl}acetate
CID 86623179
Tert-butyl 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 15614600
Tert-butyl 3,5,5-tris(methylperoxy)hexanoate
CID 21119244
methyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 10512888
tert-butyl [(4R,6S)-6-(iodomethyl)-2,2-dimethyl-1,3-dioxane-4-yl]acetate
CID 15042006
tert-butyl 2-[(4R,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11064979

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate (CID 14434698) is tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate is C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is GRAJYTBRQATLDQ-NXEZZACHSA-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/t9-,10-/m1/s1.
What are the key properties of tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate?
tert-butyl 2-[(4R,6R)-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-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 14434698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).