2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate

C8H14O7 — CID 542480

IUPAC2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate
SMILESCOC(=O)OCCOCCOC(=O)OC
InChIInChI=1S/C8H14O7/c1-11-7(9)14-5-3-13-4-6-15-8(10)12-2/h3-6H2,1-2H3
InChIKeyRCPSBJKGQVGFHE-UHFFFAOYSA-N
MW222.19 g/mol
LogP0.57
Rot. Bonds6

About 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate

2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate (PubChem CID 542480) has the molecular formula C8H14O7 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate.

Molecular Properties

Compound Name2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate
PubChem CID542480
Molecular FormulaC8H14O7
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Name2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate
SMILESCOC(=O)OCCOCCOC(=O)OC
InChIInChI=1S/C8H14O7/c1-11-7(9)14-5-3-13-4-6-15-8(10)12-2/h3-6H2,1-2H3
InChIKeyRCPSBJKGQVGFHE-UHFFFAOYSA-N
XLogP0.57
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate?
The IUPAC name of 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate (CID 542480) is 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate.
What is the SMILES notation for 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate?
The canonical SMILES for 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate is COC(=O)OCCOCCOC(=O)OC.
What is the InChIKey of 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate?
The InChIKey is RCPSBJKGQVGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O7/c1-11-7(9)14-5-3-13-4-6-15-8(10)12-2/h3-6H2,1-2H3.
What are the key properties of 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate?
2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate has a molecular weight of 222.19 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycarbonyloxyethoxy)ethyl methyl carbonate is sourced from PubChem (CID 542480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).