5,5-dimethyl-1,3,2-dioxathiane 2-oxide

C5H10O3S — CID 10877294

IUPAC5,5-dimethyl-1,3,2-dioxathiane 2-oxide
SMILESCC1(C)COS(=O)OC1
InChIInChI=1S/C5H10O3S/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3
InChIKeyMBWNQWVADQDHDU-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.64
Rot. Bonds

About 5,5-dimethyl-1,3,2-dioxathiane 2-oxide

5,5-dimethyl-1,3,2-dioxathiane 2-oxide (PubChem CID 10877294) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 5,5-dimethyl-1,3,2-dioxathiane 2-oxide.

Molecular Properties

Compound Name5,5-dimethyl-1,3,2-dioxathiane 2-oxide
PubChem CID10877294
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name5,5-dimethyl-1,3,2-dioxathiane 2-oxide
SMILESCC1(C)COS(=O)OC1
InChIInChI=1S/C5H10O3S/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3
InChIKeyMBWNQWVADQDHDU-UHFFFAOYSA-N
XLogP0.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
CID 10866493
6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide
CID 59031027
methyl 4-methyl-2-oxo-1,3,2-dioxathiolane-4-carboxylate
CID 53411487
7,7-dimethyl-1,3,5-trioxocane
CID 145482974
7,7-dimethyl-1,3,5-trioxocane-2,4-dione
CID 88770359
3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone
CID 604363
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
CID 23420038
methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate
CID 22942427
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261978
2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 550049
6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 543319

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3,2-dioxathiane 2-oxide?
The IUPAC name of 5,5-dimethyl-1,3,2-dioxathiane 2-oxide (CID 10877294) is 5,5-dimethyl-1,3,2-dioxathiane 2-oxide.
What is the SMILES notation for 5,5-dimethyl-1,3,2-dioxathiane 2-oxide?
The canonical SMILES for 5,5-dimethyl-1,3,2-dioxathiane 2-oxide is CC1(C)COS(=O)OC1.
What is the InChIKey of 5,5-dimethyl-1,3,2-dioxathiane 2-oxide?
The InChIKey is MBWNQWVADQDHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,3,2-dioxathiane 2-oxide?
5,5-dimethyl-1,3,2-dioxathiane 2-oxide has a molecular weight of 150.20 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3,2-dioxathiane 2-oxide is sourced from PubChem (CID 10877294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).