methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate

C7H10O5 — CID 134599672

IUPACmethyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate
SMILESCCC1(C(=O)OC)COC(=O)O1
InChIInChI=1S/C7H10O5/c1-3-7(5(8)10-2)4-11-6(9)12-7/h3-4H2,1-2H3
InChIKeyJJVCISVYDLQPMG-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.47
Rot. Bonds2

About methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate

methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599672) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599672
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namemethyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate
SMILESCCC1(C(=O)OC)COC(=O)O1
InChIInChI=1S/C7H10O5/c1-3-7(5(8)10-2)4-11-6(9)12-7/h3-4H2,1-2H3
InChIKeyJJVCISVYDLQPMG-UHFFFAOYSA-N
XLogP0.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-4-ethoxy-2-ethyl-6-oxo-3H-pyran-2-carboxylate
CID 102462432
methyl 2-butyloxirane-2-carboxylate
CID 18471262
methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate
CID 102207215
5-ethyl-4,5-dimethyl-4-(2-methylpropyl)-1,3-dioxan-2-one
CID 141234962
(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate
CID 147022523
1,3-bis(5-methyl-2-oxo-1,3-dioxan-5-yl)propane-1,3-dione
CID 54321585
methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894264
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
CID 129385459
4,4-ditert-butyl-1,3-dioxolan-2-one
CID 59942377
methyl 2-methyl-5-oxo-1,4-dioxane-2-carboxylate
CID 122498790
[4-(5-methyl-2-oxo-1,3-dioxane-5-carbonyl)oxycyclohexyl] 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 102303855
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 118944076

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate (CID 134599672) is methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate is CCC1(C(=O)OC)COC(=O)O1.
What is the InChIKey of methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is JJVCISVYDLQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-7(5(8)10-2)4-11-6(9)12-7/h3-4H2,1-2H3.
What are the key properties of methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate?
methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 174.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).