(2,2-dioxooxathiolan-3-yl) ethyl carbonate

C6H10O6S — CID 90002943

IUPAC(2,2-dioxooxathiolan-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1CCOS1(=O)=O
InChIInChI=1S/C6H10O6S/c1-2-10-6(7)12-5-3-4-11-13(5,8)9/h5H,2-4H2,1H3
InChIKeySGRXWDVYMGLHLW-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.24
Rot. Bonds2

About (2,2-dioxooxathiolan-3-yl) ethyl carbonate

(2,2-dioxooxathiolan-3-yl) ethyl carbonate (PubChem CID 90002943) has the molecular formula C6H10O6S and a molecular weight of 210.21 g/mol. Its IUPAC name is (2,2-dioxooxathiolan-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(2,2-dioxooxathiolan-3-yl) ethyl carbonate
PubChem CID90002943
Molecular FormulaC6H10O6S
Molecular Weight210.21 g/mol
Exact Mass210.02
IUPAC Name(2,2-dioxooxathiolan-3-yl) ethyl carbonate
SMILESCCOC(=O)OC1CCOS1(=O)=O
InChIInChI=1S/C6H10O6S/c1-2-10-6(7)12-5-3-4-11-13(5,8)9/h5H,2-4H2,1H3
InChIKeySGRXWDVYMGLHLW-UHFFFAOYSA-N
XLogP0.24
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2,2-dioxooxathiolan-3-yl) 2,2-dimethylpropanoate
CID 90002320
ethyl [2,3,4,5-tetrakis(ethoxycarbonyloxy)-6-methoxycyclohexyl] carbonate
CID 118203008
diethyl carbonate;2-methyloxolane
CID 174662331
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
CID 70041811
[2,4-bis(ethoxycarbonyloxy)cyclohexyl] ethyl carbonate
CID 23066426
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
ethyl morpholin-3-yl carbonate
CID 70458711
ethyl (4-methylsulfonylcyclohexyl) carbonate
CID 142152109
CID 175796855
CID 175796855
ethyl 3-fluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-6-carboxylate
CID 134599889
ethyl [4-(4-pentylcyclohexyl)cyclohexyl] carbonate
CID 70479320
magnesium;diethyl carbonate;hydride
CID 173249173

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxooxathiolan-3-yl) ethyl carbonate?
The IUPAC name of (2,2-dioxooxathiolan-3-yl) ethyl carbonate (CID 90002943) is (2,2-dioxooxathiolan-3-yl) ethyl carbonate.
What is the SMILES notation for (2,2-dioxooxathiolan-3-yl) ethyl carbonate?
The canonical SMILES for (2,2-dioxooxathiolan-3-yl) ethyl carbonate is CCOC(=O)OC1CCOS1(=O)=O.
What is the InChIKey of (2,2-dioxooxathiolan-3-yl) ethyl carbonate?
The InChIKey is SGRXWDVYMGLHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6S/c1-2-10-6(7)12-5-3-4-11-13(5,8)9/h5H,2-4H2,1H3.
What are the key properties of (2,2-dioxooxathiolan-3-yl) ethyl carbonate?
(2,2-dioxooxathiolan-3-yl) ethyl carbonate has a molecular weight of 210.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxooxathiolan-3-yl) ethyl carbonate is sourced from PubChem (CID 90002943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).