[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate

C12H20O5 — CID 20721989

IUPAC[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CC(=O)OC1(C)COC
InChIInChI=1S/C12H20O5/c1-5-8(2)11(14)16-9-6-10(13)17-12(9,3)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyVBSFPUCWHFRTBV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.30
Rot. Bonds5

About [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate

[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate (PubChem CID 20721989) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate.

Molecular Properties

Compound Name[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate
PubChem CID20721989
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CC(=O)OC1(C)COC
InChIInChI=1S/C12H20O5/c1-5-8(2)11(14)16-9-6-10(13)17-12(9,3)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyVBSFPUCWHFRTBV-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one
CID 101002966
(6-methoxyoxan-2-yl) 2-methylbutanoate
CID 18336315
(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013
[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylbutanoate
CID 91748871
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
(3-methyl-5-oxo-2-propan-2-yloxolan-3-yl) 2-methylbutanoate
CID 118546530
(4-chloro-5-oxooxolan-3-yl) 2-methylbutanoate
CID 22082246
(2,2-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2-dimethyl-5-oxooxolan-3-yl) 2-methylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2-methylbutanoate
CID 161265012
(5-hydroxyoxolan-3-yl) 2-methylbutanoate
CID 59372752
(4-propanoyloxycyclohexyl) 2-methylbutanoate
CID 91531963
piperidin-4-yl 2-methylbutanoate
CID 18987401
(5,8a-dimethyl-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl) 2-methylbutanoate
CID 162951526

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate?
The IUPAC name of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate (CID 20721989) is [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate.
What is the SMILES notation for [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate?
The canonical SMILES for [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate is CCC(C)C(=O)OC1CC(=O)OC1(C)COC.
What is the InChIKey of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate?
The InChIKey is VBSFPUCWHFRTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-5-8(2)11(14)16-9-6-10(13)17-12(9,3)7-15-4/h8-9H,5-7H2,1-4H3.
What are the key properties of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate?
[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate has a molecular weight of 244.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2-methylbutanoate is sourced from PubChem (CID 20721989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).