2-methyl-2-(2-nitrosoethoxy)propane

C6H13NO2 — CID 90857384

About 2-methyl-2-(2-nitrosoethoxy)propane

2-methyl-2-(2-nitrosoethoxy)propane (PubChem CID 90857384) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2-methyl-2-(2-nitrosoethoxy)propane.

Molecular Properties

• Compound Name: 2-methyl-2-(2-nitrosoethoxy)propane
• PubChem CID: 90857384
• Molecular Formula: C6H13NO2
• Molecular Weight: 131.17 g/mol
• Exact Mass: 131.09
• IUPAC Name: 2-methyl-2-(2-nitrosoethoxy)propane
• SMILES: CC(C)(C)OCCN=O
• InChI: InChI=1S/C6H13NO2/c1-6(2,3)9-5-4-7-8/h4-5H2,1-3H3
• InChIKey: VIFCTJFRGIJFOG-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	131.17
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-nitrosoethoxy)propane?

The IUPAC name of 2-methyl-2-(2-nitrosoethoxy)propane (CID 90857384) is 2-methyl-2-(2-nitrosoethoxy)propane.

What is the SMILES notation for 2-methyl-2-(2-nitrosoethoxy)propane?

The canonical SMILES for 2-methyl-2-(2-nitrosoethoxy)propane is CC(C)(C)OCCN=O.

What is the InChIKey of 2-methyl-2-(2-nitrosoethoxy)propane?

The InChIKey is VIFCTJFRGIJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)9-5-4-7-8/h4-5H2,1-3H3.

What are the key properties of 2-methyl-2-(2-nitrosoethoxy)propane?

2-methyl-2-(2-nitrosoethoxy)propane has a molecular weight of 131.17 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(2-nitrosoethoxy)propane is sourced from PubChem (CID 90857384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).