[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate

C11H17NO5 — CID 155395441

IUPAC[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1(CN=O)CCC(=O)O1
InChIInChI=1S/C11H17NO5/c1-10(2,3)9(14)16-7-11(6-12-15)5-4-8(13)17-11/h4-7H2,1-3H3
InChIKeyROUWSOSJQOJTIX-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.42
Rot. Bonds4

About [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate

[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 155395441) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID155395441
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1(CN=O)CCC(=O)O1
InChIInChI=1S/C11H17NO5/c1-10(2,3)9(14)16-7-11(6-12-15)5-4-8(13)17-11/h4-7H2,1-3H3
InChIKeyROUWSOSJQOJTIX-UHFFFAOYSA-N
XLogP1.42
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 155395441) is [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC1(CN=O)CCC(=O)O1.
What is the InChIKey of [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is ROUWSOSJQOJTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-10(2,3)9(14)16-7-11(6-12-15)5-4-8(13)17-11/h4-7H2,1-3H3.
What are the key properties of [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 243.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 155395441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).