ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate

C11H18O8S — CID 58655328

IUPACethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
SMILESCCOC(=O)[C@]1(C)OS(=O)(=O)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O8S/c1-5-15-9(12)11(4)8(18-20(13,14)19-11)7-6-16-10(2,3)17-7/h7-8H,5-6H2,1-4H3/t7-,8-,11-/m1/s1
InChIKeyUYMLTUZYEYHYHO-SOCHQFKDSA-N
MW310.32 g/mol
LogP0.12
Rot. Bonds3

About ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate

ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate (PubChem CID 58655328) has the molecular formula C11H18O8S and a molecular weight of 310.32 g/mol. Its IUPAC name is ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
PubChem CID58655328
Molecular FormulaC11H18O8S
Molecular Weight310.32 g/mol
Exact Mass310.07
IUPAC Nameethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
SMILESCCOC(=O)[C@]1(C)OS(=O)(=O)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O8S/c1-5-15-9(12)11(4)8(18-20(13,14)19-11)7-6-16-10(2,3)17-7/h7-8H,5-6H2,1-4H3/t7-,8-,11-/m1/s1
InChIKeyUYMLTUZYEYHYHO-SOCHQFKDSA-N
XLogP0.12
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate?
The IUPAC name of ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate (CID 58655328) is ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate?
The canonical SMILES for ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate is CCOC(=O)[C@]1(C)OS(=O)(=O)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate?
The InChIKey is UYMLTUZYEYHYHO-SOCHQFKDSA-N. The full InChI is InChI=1S/C11H18O8S/c1-5-15-9(12)11(4)8(18-20(13,14)19-11)7-6-16-10(2,3)17-7/h7-8H,5-6H2,1-4H3/t7-,8-,11-/m1/s1.
What are the key properties of ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate?
ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate has a molecular weight of 310.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate is sourced from PubChem (CID 58655328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).