4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide

C5H10O4S — CID 140558399

IUPAC4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCC1OS(=O)(=O)OC1(C)C
InChIInChI=1S/C5H10O4S/c1-4-5(2,3)9-10(6,7)8-4/h4H,1-3H3
InChIKeyCSVDWPICRHWJLI-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.45
Rot. Bonds

About 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide

4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 140558399) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID140558399
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCC1OS(=O)(=O)OC1(C)C
InChIInChI=1S/C5H10O4S/c1-4-5(2,3)9-10(6,7)8-4/h4H,1-3H3
InChIKeyCSVDWPICRHWJLI-UHFFFAOYSA-N
XLogP0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethenyl-3,4,5,5-tetramethyloxathiolane 2,2-dioxide
CID 59672376
4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 146263627
(3aS,4S,8S,8aS)-2,2,4,8-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxathiepine 6,6-dioxide
CID 10824692
3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 54523340
4,7-dimethyl-1,3,2-dioxathiepane 2,2-dioxide
CID 18615681
4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine
CID 175706695
1,2,3,7,8-pentamethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
CID 140655045
(5S,6R,7R,7aR)-5-methyl-2,2-dioxo-6,7-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyran-3a,6,7,7a-tetrol
CID 140556041
4,4,5,6,6-pentamethyl-1,3-dioxane
CID 122415406
5,5,6,6-tetramethyl-1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 71337149
5-ethyl-3,3a-dimethyl-3,5,6,6a-tetrahydrofuro[3,2-c]oxathiole 1,1-dioxide
CID 147494307
CID 102491516
CID 102491516

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide (CID 140558399) is 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide is CC1OS(=O)(=O)OC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is CSVDWPICRHWJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-4-5(2,3)9-10(6,7)8-4/h4H,1-3H3.
What are the key properties of 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide?
4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 166.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 140558399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).