(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate

C7H10O6 — CID 14765868

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCC1COC(=O)O1
InChIInChI=1S/C7H10O6/c1-10-4-6(8)11-2-5-3-12-7(9)13-5/h5H,2-4H2,1H3
InChIKeyNCOABCDWKLBJOM-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.29
Rot. Bonds4

About (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate

(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate (PubChem CID 14765868) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
PubChem CID14765868
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCC1COC(=O)O1
InChIInChI=1S/C7H10O6/c1-10-4-6(8)11-2-5-3-12-7(9)13-5/h5H,2-4H2,1H3
InChIKeyNCOABCDWKLBJOM-UHFFFAOYSA-N
XLogP-0.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylpentanoate
CID 159032301
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
1-O-[(2-methylidene-1,3-dioxolan-4-yl)methyl] 3-O-[(2-oxo-1,3-dioxolan-4-yl)methyl] propanedioate
CID 158834493
ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
CID 145367345
2-ethoxyethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]acetate
CID 59844671
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] (E)-icos-10-enedioate
CID 132917919
(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate
CID 130379761
(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
CID 102112461

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate (CID 14765868) is (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate is COCC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
The InChIKey is NCOABCDWKLBJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-10-4-6(8)11-2-5-3-12-7(9)13-5/h5H,2-4H2,1H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate has a molecular weight of 190.15 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate is sourced from PubChem (CID 14765868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).