(2,2-dimethyl-3-nitrosooxypropyl) nitrite

C5H10N2O4 — CID 14205000

IUPAC(2,2-dimethyl-3-nitrosooxypropyl) nitrite
SMILESCC(C)(CON=O)CON=O
InChIInChI=1S/C5H10N2O4/c1-5(2,3-10-6-8)4-11-7-9/h3-4H2,1-2H3
InChIKeyDCPLBSWJHOMZNJ-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.41
Rot. Bonds6

About (2,2-dimethyl-3-nitrosooxypropyl) nitrite

(2,2-dimethyl-3-nitrosooxypropyl) nitrite (PubChem CID 14205000) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2,2-dimethyl-3-nitrosooxypropyl) nitrite.

Molecular Properties

Compound Name(2,2-dimethyl-3-nitrosooxypropyl) nitrite
PubChem CID14205000
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name(2,2-dimethyl-3-nitrosooxypropyl) nitrite
SMILESCC(C)(CON=O)CON=O
InChIInChI=1S/C5H10N2O4/c1-5(2,3-10-6-8)4-11-7-9/h3-4H2,1-2H3
InChIKeyDCPLBSWJHOMZNJ-UHFFFAOYSA-N
XLogP1.41
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-nitrosooxypropyl) nitrite?
The IUPAC name of (2,2-dimethyl-3-nitrosooxypropyl) nitrite (CID 14205000) is (2,2-dimethyl-3-nitrosooxypropyl) nitrite.
What is the SMILES notation for (2,2-dimethyl-3-nitrosooxypropyl) nitrite?
The canonical SMILES for (2,2-dimethyl-3-nitrosooxypropyl) nitrite is CC(C)(CON=O)CON=O.
What is the InChIKey of (2,2-dimethyl-3-nitrosooxypropyl) nitrite?
The InChIKey is DCPLBSWJHOMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-5(2,3-10-6-8)4-11-7-9/h3-4H2,1-2H3.
What are the key properties of (2,2-dimethyl-3-nitrosooxypropyl) nitrite?
(2,2-dimethyl-3-nitrosooxypropyl) nitrite has a molecular weight of 162.14 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-nitrosooxypropyl) nitrite is sourced from PubChem (CID 14205000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).