carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane

C7H16O10 — CID 118305943

IUPACcarbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane
SMILESCOCCOCCOO.O=C(O)O.O=C(O)O
InChIInChI=1S/C5H12O4.2CH2O3/c1-7-2-3-8-4-5-9-6;2*2-1(3)4/h6H,2-5H2,1H3;2*(H2,2,3,4)
InChIKeyGCDUBOLTYURZKT-UHFFFAOYSA-N
MW260.19 g/mol
LogP0.58
Rot. Bonds6

About carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane

carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane (PubChem CID 118305943) has the molecular formula C7H16O10 and a molecular weight of 260.19 g/mol. Its IUPAC name is carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane.

Molecular Properties

Compound Namecarbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane
PubChem CID118305943
Molecular FormulaC7H16O10
Molecular Weight260.19 g/mol
Exact Mass260.07
IUPAC Namecarbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane
SMILESCOCCOCCOO.O=C(O)O.O=C(O)O
InChIInChI=1S/C5H12O4.2CH2O3/c1-7-2-3-8-4-5-9-6;2*2-1(3)4/h6H,2-5H2,1H3;2*(H2,2,3,4)
InChIKeyGCDUBOLTYURZKT-UHFFFAOYSA-N
XLogP0.58
TPSA162.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 50.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
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-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
CID 173303266
CID 173303266
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane?
The IUPAC name of carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane (CID 118305943) is carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane.
What is the SMILES notation for carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane?
The canonical SMILES for carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane is COCCOCCOO.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane?
The InChIKey is GCDUBOLTYURZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.2CH2O3/c1-7-2-3-8-4-5-9-6;2*2-1(3)4/h6H,2-5H2,1H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane?
carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane has a molecular weight of 260.19 g/mol, XLogP of 0.58, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane is sourced from PubChem (CID 118305943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).