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

C9H16O5 — CID 91593989

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C9H16O5/c1-9(2)13-5-7(14-9)4-12-8(10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyUUZKIKIIMBVJLR-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.33
Rot. Bonds4

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

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate (PubChem CID 91593989) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
PubChem CID91593989
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C9H16O5/c1-9(2)13-5-7(14-9)4-12-8(10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyUUZKIKIIMBVJLR-UHFFFAOYSA-N
XLogP0.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate (CID 91593989) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate is COCC(=O)OCC1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
The InChIKey is UUZKIKIIMBVJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-9(2)13-5-7(14-9)4-12-8(10)6-11-3/h7H,4-6H2,1-3H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate has a molecular weight of 204.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate is sourced from PubChem (CID 91593989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).