(4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide

C4H8O3S — CID 6994235

IUPAC(4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
SMILESC[C@H]1OS(=O)O[C@@H]1C
InChIInChI=1S/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKeySAPINXZHMGNTEC-QWWZWVQMSA-N
MW136.17 g/mol
LogP0.39
Rot. Bonds

About (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide

(4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 6994235) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
PubChem CID6994235
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
SMILESC[C@H]1OS(=O)O[C@@H]1C
InChIInChI=1S/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKeySAPINXZHMGNTEC-QWWZWVQMSA-N
XLogP0.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide (CID 6994235) is (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide is C[C@H]1OS(=O)O[C@@H]1C.
What is the InChIKey of (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is SAPINXZHMGNTEC-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3/t3-,4-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
(4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 136.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 6994235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).