propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C14H24O6 — CID 134846282

IUPACpropan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(=O)OC[C@@H]1C[C@H](CC(=O)OC(C)C)OC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-9(2)18-13(16)7-11-6-12(8-17-10(3)15)20-14(4,5)19-11/h9,11-12H,6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyKEAFLAIJTIFZQE-NEPJUHHUSA-N
MW288.34 g/mol
LogP1.80
Rot. Bonds5

About propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 134846282) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID134846282
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namepropan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(=O)OC[C@@H]1C[C@H](CC(=O)OC(C)C)OC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-9(2)18-13(16)7-11-6-12(8-17-10(3)15)20-14(4,5)19-11/h9,11-12H,6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyKEAFLAIJTIFZQE-NEPJUHHUSA-N
XLogP1.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-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

Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate
CID 95087
Methyl D-glucopyranuronate 1,2,3,4-tetraacetate
CID 11047049
tert-Butyl 2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate
CID 9816650
(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-oxotetrahydro-2H-pyran-3,4,5-triyl triacetate
CID 11013415
alpha-D-Galactopyranosiduronic acid, methyl methyl ester, triacetate
CID 142031
alpha-D-Glucopyranuronic acid, methyl ester, tetraacetate
CID 226478
Methyl 2,3,4-tri-O-acetyl-B-D-glucuronic acid methyl ester
CID 11057163
beta-D-Glucopyranuronic acid, ethyl ester, tetraacetate
CID 90475825
(4R-cis)-6-[(Acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl ester
CID 9839384
(5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoic acid
CID 132282243
(3R,5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhexanoic acid
CID 132282388
methyl (2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane-2-carboxylate
CID 162888423

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 134846282) is propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is CC(=O)OC[C@@H]1C[C@H](CC(=O)OC(C)C)OC(C)(C)O1.
What is the InChIKey of propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is KEAFLAIJTIFZQE-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24O6/c1-9(2)18-13(16)7-11-6-12(8-17-10(3)15)20-14(4,5)19-11/h9,11-12H,6-8H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 288.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 134846282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).