2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate

C7H12O6S — CID 139296035

IUPAC2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate
SMILESCCOCCOC(=O)C1COS(=O)O1
InChIInChI=1S/C7H12O6S/c1-2-10-3-4-11-7(8)6-5-12-14(9)13-6/h6H,2-5H2,1H3
InChIKeyYUFMOFCVNMDPAL-UHFFFAOYSA-N
MW224.23 g/mol
LogP-0.44
Rot. Bonds5

About 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate

2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate (PubChem CID 139296035) has the molecular formula C7H12O6S and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate
PubChem CID139296035
Molecular FormulaC7H12O6S
Molecular Weight224.23 g/mol
Exact Mass224.04
IUPAC Name2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate
SMILESCCOCCOC(=O)C1COS(=O)O1
InChIInChI=1S/C7H12O6S/c1-2-10-3-4-11-7(8)6-5-12-14(9)13-6/h6H,2-5H2,1H3
InChIKeyYUFMOFCVNMDPAL-UHFFFAOYSA-N
XLogP-0.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 5-0.44
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

4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 69099387
2-O-(2-ethoxyethyl) 1-O-methyl cyclohexane-1,2-dicarboxylate
CID 147126734
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
2-O,3-O,4-O,5-O,6-O-pentakis(2-ethenoxyethyl) 1-O-(2-ethoxyethyl) cyclohexane-1,2,3,4,5,6-hexacarboxylate
CID 149463478
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-(2-oxo-1,3-dioxolane-4-carbonyl)oxyethyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 122643704
2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid
CID 54208615

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate?
The IUPAC name of 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate (CID 139296035) is 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate?
The canonical SMILES for 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate is CCOCCOC(=O)C1COS(=O)O1.
What is the InChIKey of 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate?
The InChIKey is YUFMOFCVNMDPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6S/c1-2-10-3-4-11-7(8)6-5-12-14(9)13-6/h6H,2-5H2,1H3.
What are the key properties of 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate?
2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate has a molecular weight of 224.23 g/mol, XLogP of -0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-oxo-1,3,2-dioxathiolane-4-carboxylate is sourced from PubChem (CID 139296035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).