(2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate

C8H16O6S — CID 90003099

IUPAC(2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate
SMILESCC(C)OC(=O)OC1CS(O)(O)OC1C
InChIInChI=1S/C8H16O6S/c1-5(2)12-8(9)13-7-4-15(10,11)14-6(7)3/h5-7,10-11H,4H2,1-3H3
InChIKeyYJTUZLOBGQMZBM-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.00
Rot. Bonds2

About (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate

(2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate (PubChem CID 90003099) has the molecular formula C8H16O6S and a molecular weight of 240.28 g/mol. Its IUPAC name is (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate.

Molecular Properties

Compound Name(2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate
PubChem CID90003099
Molecular FormulaC8H16O6S
Molecular Weight240.28 g/mol
Exact Mass240.07
IUPAC Name(2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate
SMILESCC(C)OC(=O)OC1CS(O)(O)OC1C
InChIInChI=1S/C8H16O6S/c1-5(2)12-8(9)13-7-4-15(10,11)14-6(7)3/h5-7,10-11H,4H2,1-3H3
InChIKeyYJTUZLOBGQMZBM-UHFFFAOYSA-N
XLogP2.00
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-fluoro-2,2-dihydroxyoxathiolan-4-yl) 2-methylpropanoate
CID 90002327
bis(5-methyl-2,2-dioxooxathiolan-4-yl) 2-methylpropanedioate
CID 155384273
(5-methyl-2,2-dioxooxathiolan-4-yl) propyl carbonate
CID 90003122
tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
CID 23066882
cyclohexane;hydroxy propan-2-yl carbonate
CID 174791698
propan-2-yl oxirane-2-carboxylate
CID 87397503
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276
ethoxy propan-2-yl carbonate
CID 21290921
propan-2-yl (2R)-oxirane-2-carboxylate
CID 150807258
propan-2-yl 9-methyl-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 122467195
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700

Frequently Asked Questions

What is the IUPAC name of (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate?
The IUPAC name of (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate (CID 90003099) is (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate.
What is the SMILES notation for (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate?
The canonical SMILES for (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate is CC(C)OC(=O)OC1CS(O)(O)OC1C.
What is the InChIKey of (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate?
The InChIKey is YJTUZLOBGQMZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6S/c1-5(2)12-8(9)13-7-4-15(10,11)14-6(7)3/h5-7,10-11H,4H2,1-3H3.
What are the key properties of (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate?
(2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate has a molecular weight of 240.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dihydroxy-5-methyloxathiolan-4-yl) propan-2-yl carbonate is sourced from PubChem (CID 90003099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).