(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one

C8H12O4S — CID 139076898

IUPAC(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one
SMILESCC1(C)OC[C@H]([C@@H]2OC(=O)CS2)O1
InChIInChI=1S/C8H12O4S/c1-8(2)10-3-5(12-8)7-11-6(9)4-13-7/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyMEOFNSRRSZIFSP-IYSWYEEDSA-N
MW204.25 g/mol
LogP0.75
Rot. Bonds1

About (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one (PubChem CID 139076898) has the molecular formula C8H12O4S and a molecular weight of 204.25 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one
PubChem CID139076898
Molecular FormulaC8H12O4S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one
SMILESCC1(C)OC[C@H]([C@@H]2OC(=O)CS2)O1
InChIInChI=1S/C8H12O4S/c1-8(2)10-3-5(12-8)7-11-6(9)4-13-7/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyMEOFNSRRSZIFSP-IYSWYEEDSA-N
XLogP0.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one with MolForge

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Launch Full Analysis

Related Compounds

6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate
CID 327191
[(2R,3S,4S)-5-acetyloxy-4-fluoro-3-methoxycarbonyloxythiolan-2-yl] acetate
CID 175035699
(2-Oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl) acetate
CID 327190
1,6-Bis(1,3-dioxolan-2-one)-2,5-dithiahexane
CID 139055033
2beta-Acetoxy-4beta,5-dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 539118
2beta-Acetoxy-5-methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 539119
S-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] ethanethioate
CID 10261930
S-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] ethanethioate
CID 13923876
Thieno[3,4-d]-1,3-dioxol-4-ol, tetrahydro-2,2-dimethyl-, 4-acetate, (3aR,6aS)-
CID 16735502
S-[(2-oxo-1,3-dioxolan-4-yl)methyl] ethanethioate
CID 20233083
S-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] ethanethioate
CID 53960485
[(3aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl] acetate
CID 59356318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one?
The IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one (CID 139076898) is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one.
What is the SMILES notation for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one?
The canonical SMILES for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one is CC1(C)OC[C@H]([C@@H]2OC(=O)CS2)O1.
What is the InChIKey of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one?
The InChIKey is MEOFNSRRSZIFSP-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H12O4S/c1-8(2)10-3-5(12-8)7-11-6(9)4-13-7/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one?
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one has a molecular weight of 204.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one is sourced from PubChem (CID 139076898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).