1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium

C6H11O5+ — CID 142966378

IUPAC1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium
SMILESCC([OH2+])OCC1COC(=O)O1
InChIInChI=1S/C6H10O5/c1-4(7)9-2-5-3-10-6(8)11-5/h4-5,7H,2-3H2,1H3/p+1
InChIKeyKNJISRJLBQBFJP-UHFFFAOYSA-O
MW163.15 g/mol
LogP-0.39
Rot. Bonds3

About 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium

1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium (PubChem CID 142966378) has the molecular formula C6H11O5+ and a molecular weight of 163.15 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium.

Molecular Properties

Compound Name1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium
PubChem CID142966378
Molecular FormulaC6H11O5+
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium
SMILESCC([OH2+])OCC1COC(=O)O1
InChIInChI=1S/C6H10O5/c1-4(7)9-2-5-3-10-6(8)11-5/h4-5,7H,2-3H2,1H3/p+1
InChIKeyKNJISRJLBQBFJP-UHFFFAOYSA-O
XLogP-0.39
TPSA67.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one
CID 167194592
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
4-[(2,2-difluoro-3-methylbutoxy)methyl]-1,3-dioxolan-2-one
CID 122450409
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
CID 70218868
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
CID 145367345
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium?
The IUPAC name of 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium (CID 142966378) is 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium.
What is the SMILES notation for 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium?
The canonical SMILES for 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium is CC([OH2+])OCC1COC(=O)O1.
What is the InChIKey of 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium?
The InChIKey is KNJISRJLBQBFJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10O5/c1-4(7)9-2-5-3-10-6(8)11-5/h4-5,7H,2-3H2,1H3/p+1.
What are the key properties of 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium?
1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium has a molecular weight of 163.15 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium is sourced from PubChem (CID 142966378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).