carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate

C7H12O8 — CID 118305942

IUPACcarboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
SMILESCOCCOCCOC(=O)OOC(=O)O
InChIInChI=1S/C7H12O8/c1-11-2-3-12-4-5-13-7(10)15-14-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyGTKJCOMEVMBBJC-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.41
Rot. Bonds6

About carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate

carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate (PubChem CID 118305942) has the molecular formula C7H12O8 and a molecular weight of 224.16 g/mol. Its IUPAC name is carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate.

Molecular Properties

Compound Namecarboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
PubChem CID118305942
Molecular FormulaC7H12O8
Molecular Weight224.16 g/mol
Exact Mass224.05
IUPAC Namecarboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
SMILESCOCCOCCOC(=O)OOC(=O)O
InChIInChI=1S/C7H12O8/c1-11-2-3-12-4-5-13-7(10)15-14-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyGTKJCOMEVMBBJC-UHFFFAOYSA-N
XLogP0.41
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate
CID 159000036
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
carboxyoxy (3-methoxy-3-methylbutyl) carbonate
CID 87697093
carboxyoxy dodecyl carbonate
CID 89262401
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate?
The IUPAC name of carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate (CID 118305942) is carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate.
What is the SMILES notation for carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate?
The canonical SMILES for carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate is COCCOCCOC(=O)OOC(=O)O.
What is the InChIKey of carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate?
The InChIKey is GTKJCOMEVMBBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O8/c1-11-2-3-12-4-5-13-7(10)15-14-6(8)9/h2-5H2,1H3,(H,8,9).
What are the key properties of carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate?
carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate has a molecular weight of 224.16 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate is sourced from PubChem (CID 118305942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).