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

C11H20O6S — CID 59996497

IUPACmethyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](CS(C)(=O)=O)OC(C)(C)O1
InChIInChI=1S/C11H20O6S/c1-11(2)16-8(6-10(12)15-3)5-9(17-11)7-18(4,13)14/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyVZZXLZSKUHGKIA-BDAKNGLRSA-N
MW280.34 g/mol
LogP0.50
Rot. Bonds4

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

methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate (PubChem CID 59996497) has the molecular formula C11H20O6S and a molecular weight of 280.34 g/mol. Its IUPAC name is methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
PubChem CID59996497
Molecular FormulaC11H20O6S
Molecular Weight280.34 g/mol
Exact Mass280.10
IUPAC Namemethyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](CS(C)(=O)=O)OC(C)(C)O1
InChIInChI=1S/C11H20O6S/c1-11(2)16-8(6-10(12)15-3)5-9(17-11)7-18(4,13)14/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyVZZXLZSKUHGKIA-BDAKNGLRSA-N
XLogP0.50
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-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 2-[(4R)-2,2-dimethyl-6-(trifluoromethylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 70246562
ethyl (3R)-4-methyl-3-[(6S)-6-methyloxan-2-yl]oxy-2-methylsulfonylpentanoate
CID 135000564
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfanylmethyl)-1,3-dioxan-4-yl]acetate
CID 59036962
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 59036964
2-[(4R,6S)-2,2-dimethyl-6-(methylsulfanylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
CID 59036969
2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
CID 59996498
ethyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonyloxymethyl)-1,3-dioxan-4-yl]acetate
CID 88001551
butan-2-yl 2-[(4R,6S)-2,2-dimethyl-6-(sulfanylmethyl)-1,3-dioxan-4-yl]acetate
CID 88849466
2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid
CID 122471321
ethyl 2-[(4R,6S)-2-(2-ethoxy-2-oxoethyl)-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 141432141
2-[2,2-Dimethyl-6-(methylsulfanylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
CID 20771242
2-[2,2-Dimethyl-6-(methylsulfanylmethyl)-1,3-dioxan-4-yl]acetic acid
CID 20771243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate (CID 59996497) is methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1C[C@@H](CS(C)(=O)=O)OC(C)(C)O1.
What is the InChIKey of methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate?
The InChIKey is VZZXLZSKUHGKIA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H20O6S/c1-11(2)16-8(6-10(12)15-3)5-9(17-11)7-18(4,13)14/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate?
methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate has a molecular weight of 280.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 59996497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).