methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate

C12H20O5 — CID 134367700

IUPACmethyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(CC(=O)OC(C)(C)C)CCCO1
InChIInChI=1S/C12H20O5/c1-11(2,3)17-9(13)8-12(10(14)15-4)6-5-7-16-12/h5-8H2,1-4H3
InChIKeyXKKLKBNGFSNTIJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate

methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate (PubChem CID 134367700) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
PubChem CID134367700
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namemethyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(CC(=O)OC(C)(C)C)CCCO1
InChIInChI=1S/C12H20O5/c1-11(2,3)17-9(13)8-12(10(14)15-4)6-5-7-16-12/h5-8H2,1-4H3
InChIKeyXKKLKBNGFSNTIJ-UHFFFAOYSA-N
XLogP1.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate?
The IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate (CID 134367700) is methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate?
The canonical SMILES for methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate is COC(=O)C1(CC(=O)OC(C)(C)C)CCCO1.
What is the InChIKey of methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate?
The InChIKey is XKKLKBNGFSNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-11(2,3)17-9(13)8-12(10(14)15-4)6-5-7-16-12/h5-8H2,1-4H3.
What are the key properties of methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate?
methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate is sourced from PubChem (CID 134367700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).