nitric acid;2-propan-2-yloxypropane

C6H15NO4 — CID 131742500

IUPACnitric acid;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.O=[N+]([O-])O
InChIInChI=1S/C6H14O.HNO3/c1-5(2)7-6(3)4;2-1(3)4/h5-6H,1-4H3;(H,2,3,4)
InChIKeyIKNKDLLISLGISM-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.47
Rot. Bonds2

About nitric acid;2-propan-2-yloxypropane

nitric acid;2-propan-2-yloxypropane (PubChem CID 131742500) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is nitric acid;2-propan-2-yloxypropane.

Molecular Properties

Compound Namenitric acid;2-propan-2-yloxypropane
PubChem CID131742500
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Namenitric acid;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.O=[N+]([O-])O
InChIInChI=1S/C6H14O.HNO3/c1-5(2)7-6(3)4;2-1(3)4/h5-6H,1-4H3;(H,2,3,4)
InChIKeyIKNKDLLISLGISM-UHFFFAOYSA-N
XLogP1.47
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nitric acid;2-propan-2-yloxypropane?
The IUPAC name of nitric acid;2-propan-2-yloxypropane (CID 131742500) is nitric acid;2-propan-2-yloxypropane.
What is the SMILES notation for nitric acid;2-propan-2-yloxypropane?
The canonical SMILES for nitric acid;2-propan-2-yloxypropane is CC(C)OC(C)C.O=[N+]([O-])O.
What is the InChIKey of nitric acid;2-propan-2-yloxypropane?
The InChIKey is IKNKDLLISLGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.HNO3/c1-5(2)7-6(3)4;2-1(3)4/h5-6H,1-4H3;(H,2,3,4).
What are the key properties of nitric acid;2-propan-2-yloxypropane?
nitric acid;2-propan-2-yloxypropane has a molecular weight of 165.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2-propan-2-yloxypropane is sourced from PubChem (CID 131742500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).