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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Related Compounds

Ethyl 2-(2-oxooxolan-3-yl)acetate
CID 281855
AC1LD4OY
CID 642292
(4S,5S)-5-(Pivaloyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11219495
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
5-Ethoxy-4-ethyloxolan-2-one
CID 12864817
Methyl (s)-5,5-dimethoxy-3-methylpentanoate
CID 12088059
Methyl 2-methyl-4-(oxan-2-yloxy)butanoate
CID 14214410
ethyl 2-[(3R)-2-oxooxolan-3-yl]acetate
CID 92269936
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
CID 123405200
(3-Oxo-2,7-dioxabicyclo[3.2.1]octan-6-yl) acetate
CID 123816316
(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one
CID 134841699
Ethyl 3-(triethoxymethyl)pentanoate
CID 134920469

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).