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

C14H24O5 — CID 20622156

IUPAC[5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CC(C)(COC)OC1=O
InChIInChI=1S/C14H24O5/c1-7-12(2,3)10(15)19-14(5)8-13(4,9-17-6)18-11(14)16/h7-9H2,1-6H3
InChIKeyAIXQJHCXDSEMMG-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds5

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

[5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate (PubChem CID 20622156) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate
PubChem CID20622156
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CC(C)(COC)OC1=O
InChIInChI=1S/C14H24O5/c1-7-12(2,3)10(15)19-14(5)8-13(4,9-17-6)18-11(14)16/h7-9H2,1-6H3
InChIKeyAIXQJHCXDSEMMG-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4,4-dimethyl-5-oxooxolane-2-carboxylate
CID 101951352
Tetramethyl tetrahydrofuran-2,2,4,4-tetracarboxylate
CID 14384280
diethyl (2R,3R)-4,4-dimethyloxolane-2,3-dicarboxylate
CID 132821000
Propyl 2-methyl-5-oxooxolane-2-carboxylate
CID 249194
diethyl dihydro-2,2(3H)-furandicarboxylate
CID 12524344
[(2R,3R,4R)-3,4-diacetyloxy-4-methyl-5-oxooxolan-2-yl]methyl acetate
CID 14727492
Methyl 4,4-dimethyl-5-oxooxolane-2-carboxylate
CID 15117541
(5,5-Dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 18336306
[5-(Methoxymethyl)-2-oxooxolan-3-yl] 2,2-dimethylbutanoate
CID 18336311
[2-(Methoxymethyl)-2,3-dimethyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate
CID 20622142
[2-(Methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate
CID 20622143
(3,5-Dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 20622148

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The IUPAC name of [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate (CID 20622156) is [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)CC(C)(COC)OC1=O.
What is the InChIKey of [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The InChIKey is AIXQJHCXDSEMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-7-12(2,3)10(15)19-14(5)8-13(4,9-17-6)18-11(14)16/h7-9H2,1-6H3.
What are the key properties of [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate?
[5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate has a molecular weight of 272.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 20622156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).