2-ethoxycarbonyloxyethyl methyl carbonate

C7H12O6 — CID 13172824

IUPAC2-ethoxycarbonyloxyethyl methyl carbonate
SMILESCCOC(=O)OCCOC(=O)OC
InChIInChI=1S/C7H12O6/c1-3-11-7(9)13-5-4-12-6(8)10-2/h3-5H2,1-2H3
InChIKeySSZGVGWDBPYFPT-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.94
Rot. Bonds4

About 2-ethoxycarbonyloxyethyl methyl carbonate

2-ethoxycarbonyloxyethyl methyl carbonate (PubChem CID 13172824) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-ethoxycarbonyloxyethyl methyl carbonate.

Molecular Properties

Compound Name2-ethoxycarbonyloxyethyl methyl carbonate
PubChem CID13172824
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name2-ethoxycarbonyloxyethyl methyl carbonate
SMILESCCOC(=O)OCCOC(=O)OC
InChIInChI=1S/C7H12O6/c1-3-11-7(9)13-5-4-12-6(8)10-2/h3-5H2,1-2H3
InChIKeySSZGVGWDBPYFPT-UHFFFAOYSA-N
XLogP0.94
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diethyl Carbonate
CID 7766
Diethyl Pyrocarbonate
CID 3051
Bis(2-methoxyethyl) carbonate
CID 94900
Ethyl methyl carbonate
CID 522046
2-((Acetyloxy)methoxy)ethyl acetate
CID 100999
1,1,1,2-Tetramethoxyethane
CID 141897
2-(2-Methoxyethoxy)ethyl methyl carbonate
CID 10888474
(((2-(2-((Ethoxycarbonyl)oxy)ethoxy)ethoxy)carbonyl)oxy)ethane
CID 245440
(((2-(2-((Methoxycarbonyl)oxy)ethoxy)ethoxy)carbonyl)oxy)methane
CID 542480
2,4,7,9-Tetraoxadecane
CID 10953690
Chloromethyl 2-methoxyethyl carbonate
CID 18629498
2-Methoxyethyl methyl carbonate
CID 23290296

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyloxyethyl methyl carbonate?
The IUPAC name of 2-ethoxycarbonyloxyethyl methyl carbonate (CID 13172824) is 2-ethoxycarbonyloxyethyl methyl carbonate.
What is the SMILES notation for 2-ethoxycarbonyloxyethyl methyl carbonate?
The canonical SMILES for 2-ethoxycarbonyloxyethyl methyl carbonate is CCOC(=O)OCCOC(=O)OC.
What is the InChIKey of 2-ethoxycarbonyloxyethyl methyl carbonate?
The InChIKey is SSZGVGWDBPYFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-3-11-7(9)13-5-4-12-6(8)10-2/h3-5H2,1-2H3.
What are the key properties of 2-ethoxycarbonyloxyethyl methyl carbonate?
2-ethoxycarbonyloxyethyl methyl carbonate has a molecular weight of 192.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyloxyethyl methyl carbonate is sourced from PubChem (CID 13172824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).