carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate

C8H20O10 — CID 160666750

IUPACcarbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate
SMILESCCOC(=O)OC.O.O.O=C=O.OCC(O)CO
InChIInChI=1S/C4H8O3.C3H8O3.CO2.2H2O/c1-3-7-4(5)6-2;4-1-3(6)2-5;2-1-3;;/h3H2,1-2H3;3-6H,1-2H2;;2*1H2
InChIKeyNUPFCKQQLMXSIW-UHFFFAOYSA-N
MW276.24 g/mol
LogP-3.11
Rot. Bonds3

About carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate

carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate (PubChem CID 160666750) has the molecular formula C8H20O10 and a molecular weight of 276.24 g/mol. Its IUPAC name is carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate.

Molecular Properties

Compound Namecarbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate
PubChem CID160666750
Molecular FormulaC8H20O10
Molecular Weight276.24 g/mol
Exact Mass276.11
IUPAC Namecarbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate
SMILESCCOC(=O)OC.O.O.O=C=O.OCC(O)CO
InChIInChI=1S/C4H8O3.C3H8O3.CO2.2H2O/c1-3-7-4(5)6-2;4-1-3(6)2-5;2-1-3;;/h3H2,1-2H3;3-6H,1-2H2;;2*1H2
InChIKeyNUPFCKQQLMXSIW-UHFFFAOYSA-N
XLogP-3.11
TPSA193.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-3.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethanol;ethyl methyl carbonate
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ethyl acetate;propane-1,2,3-triol
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diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
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CID 175269376
CID 175269376
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
CID 175796855
CID 175796855
ethyl 3-hydroxypropanoate;propane-1,2,3-triol
CID 161267681
carbon dioxide;ethyl acetate
CID 86667926
propane-1,2,3-triol;urea;hydrate
CID 174420698
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
diethyl carbonate;ethane-1,2-diol
CID 19764063

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate?
The IUPAC name of carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate (CID 160666750) is carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate.
What is the SMILES notation for carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate?
The canonical SMILES for carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate is CCOC(=O)OC.O.O.O=C=O.OCC(O)CO.
What is the InChIKey of carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate?
The InChIKey is NUPFCKQQLMXSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H8O3.CO2.2H2O/c1-3-7-4(5)6-2;4-1-3(6)2-5;2-1-3;;/h3H2,1-2H3;3-6H,1-2H2;;2*1H2.
What are the key properties of carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate?
carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate has a molecular weight of 276.24 g/mol, XLogP of -3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate is sourced from PubChem (CID 160666750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).