2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane

C6H11NO3 — CID 123958340

IUPAC2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane
SMILESCC1(C)OCC(CN=O)O1
InChIInChI=1S/C6H11NO3/c1-6(2)9-4-5(10-6)3-7-8/h5H,3-4H2,1-2H3
InChIKeyWOQHSVYLICKDES-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.90
Rot. Bonds2

About 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane

2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane (PubChem CID 123958340) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane
PubChem CID123958340
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane
SMILESCC1(C)OCC(CN=O)O1
InChIInChI=1S/C6H11NO3/c1-6(2)9-4-5(10-6)3-7-8/h5H,3-4H2,1-2H3
InChIKeyWOQHSVYLICKDES-UHFFFAOYSA-N
XLogP0.90
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane (CID 123958340) is 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane is CC1(C)OCC(CN=O)O1.
What is the InChIKey of 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
The InChIKey is WOQHSVYLICKDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2)9-4-5(10-6)3-7-8/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane has a molecular weight of 145.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane is sourced from PubChem (CID 123958340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).