[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium

C6H11O6+ — CID 23560431

IUPAC[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium
SMILESCOCOCC(=O)OCC(=O)[OH2+]
InChIInChI=1S/C6H10O6/c1-10-4-11-3-6(9)12-2-5(7)8/h2-4H2,1H3,(H,7,8)/p+1
InChIKeyYHBYUSSOMNQRCU-UHFFFAOYSA-O
MW179.15 g/mol
LogP-1.60
Rot. Bonds6

About [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium

[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium (PubChem CID 23560431) has the molecular formula C6H11O6+ and a molecular weight of 179.15 g/mol. Its IUPAC name is [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium.

Molecular Properties

Compound Name[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium
PubChem CID23560431
Molecular FormulaC6H11O6+
Molecular Weight179.15 g/mol
Exact Mass179.06
IUPAC Name[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium
SMILESCOCOCC(=O)OCC(=O)[OH2+]
InChIInChI=1S/C6H10O6/c1-10-4-11-3-6(9)12-2-5(7)8/h2-4H2,1H3,(H,7,8)/p+1
InChIKeyYHBYUSSOMNQRCU-UHFFFAOYSA-O
XLogP-1.60
TPSA84.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(methoxymethoxy)acetate
CID 11018922
2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate
CID 121263922
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
4-(methoxymethoxymethoxy)-3-oxobutanoic acid
CID 151680712
2-hydroxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 89335771
2,2-dimethylpropyl 2-methoxyacetate
CID 542358
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-(methoxymethoxymethyl)-N,N-dimethylprop-2-enamide
CID 20770092
ethyl 3-bromo-2-(methoxymethoxymethyl)prop-2-enoate
CID 123837396
2-(methoxymethoxy)ethanimidamide
CID 10534653
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium?
The IUPAC name of [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium (CID 23560431) is [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium.
What is the SMILES notation for [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium?
The canonical SMILES for [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium is COCOCC(=O)OCC(=O)[OH2+].
What is the InChIKey of [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium?
The InChIKey is YHBYUSSOMNQRCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10O6/c1-10-4-11-3-6(9)12-2-5(7)8/h2-4H2,1H3,(H,7,8)/p+1.
What are the key properties of [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium?
[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium has a molecular weight of 179.15 g/mol, XLogP of -1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium is sourced from PubChem (CID 23560431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).