[5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate

C12H20O5 — CID 18336311

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

About [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate

[5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate (PubChem CID 18336311) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate
PubChem CID18336311
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC(COC)OC1=O
InChIInChI=1S/C12H20O5/c1-5-12(2,3)11(14)17-9-6-8(7-15-4)16-10(9)13/h8-9H,5-7H2,1-4H3
InChIKeyDWYWXHIQBSXLSD-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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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The IUPAC name of [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate (CID 18336311) is [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC(COC)OC1=O.
What is the InChIKey of [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The InChIKey is DWYWXHIQBSXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-5-12(2,3)11(14)17-9-6-8(7-15-4)16-10(9)13/h8-9H,5-7H2,1-4H3.
What are the key properties of [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
[5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate 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 [5-(methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 18336311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).