methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate

C9H16O5 — CID 18380381

IUPACmethyl 2-(2,5-dimethoxyoxolan-3-yl)acetate
SMILESCOC(=O)CC1CC(OC)OC1OC
InChIInChI=1S/C9H16O5/c1-11-7(10)4-6-5-8(12-2)14-9(6)13-3/h6,8-9H,4-5H2,1-3H3
InChIKeyADGKSWJGJKONTH-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.53
Rot. Bonds4

About methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate

methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate (PubChem CID 18380381) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxyoxolan-3-yl)acetate
PubChem CID18380381
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namemethyl 2-(2,5-dimethoxyoxolan-3-yl)acetate
SMILESCOC(=O)CC1CC(OC)OC1OC
InChIInChI=1S/C9H16O5/c1-11-7(10)4-6-5-8(12-2)14-9(6)13-3/h6,8-9H,4-5H2,1-3H3
InChIKeyADGKSWJGJKONTH-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate?
The IUPAC name of methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate (CID 18380381) is methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate is COC(=O)CC1CC(OC)OC1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate?
The InChIKey is ADGKSWJGJKONTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-11-7(10)4-6-5-8(12-2)14-9(6)13-3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate?
methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate has a molecular weight of 204.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethoxyoxolan-3-yl)acetate is sourced from PubChem (CID 18380381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).