3,3-dimethylpentane;tris(nitric acid)

C7H19N3O9 — CID 173399914

IUPAC3,3-dimethylpentane;tris(nitric acid)
SMILESCCC(C)(C)CC.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C7H16.3HNO3/c1-5-7(3,4)6-2;3*2-1(3)4/h5-6H2,1-4H3;3*(H,2,3,4)
InChIKeyKXMAOXZHQZHQFO-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.79
Rot. Bonds2

About 3,3-dimethylpentane;tris(nitric acid)

3,3-dimethylpentane;tris(nitric acid) (PubChem CID 173399914) has the molecular formula C7H19N3O9 and a molecular weight of 289.24 g/mol. Its IUPAC name is 3,3-dimethylpentane;tris(nitric acid).

Molecular Properties

Compound Name3,3-dimethylpentane;tris(nitric acid)
PubChem CID173399914
Molecular FormulaC7H19N3O9
Molecular Weight289.24 g/mol
Exact Mass289.11
IUPAC Name3,3-dimethylpentane;tris(nitric acid)
SMILESCCC(C)(C)CC.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C7H16.3HNO3/c1-5-7(3,4)6-2;3*2-1(3)4/h5-6H2,1-4H3;3*(H,2,3,4)
InChIKeyKXMAOXZHQZHQFO-UHFFFAOYSA-N
XLogP1.79
TPSA190.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

tris(nitric acid);propane-1,1,1-triol
CID 173173242
butane;ethanamine;bis(nitric acid)
CID 175325430
ethanol;nitramide;bis(nitric acid)
CID 159870281
3,3-dimethylpentane;ethane;methanol
CID 144527462
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
2-nitrobutan-2-ol
CID 87824287
[4,4-dimethyl-2,2-bis(nitrooxymethyl)hexyl] nitrate
CID 89376990
2-methylbutane;nitric acid
CID 158412732
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane;tris(nitric acid)?
The IUPAC name of 3,3-dimethylpentane;tris(nitric acid) (CID 173399914) is 3,3-dimethylpentane;tris(nitric acid).
What is the SMILES notation for 3,3-dimethylpentane;tris(nitric acid)?
The canonical SMILES for 3,3-dimethylpentane;tris(nitric acid) is CCC(C)(C)CC.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of 3,3-dimethylpentane;tris(nitric acid)?
The InChIKey is KXMAOXZHQZHQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.3HNO3/c1-5-7(3,4)6-2;3*2-1(3)4/h5-6H2,1-4H3;3*(H,2,3,4).
What are the key properties of 3,3-dimethylpentane;tris(nitric acid)?
3,3-dimethylpentane;tris(nitric acid) has a molecular weight of 289.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane;tris(nitric acid) is sourced from PubChem (CID 173399914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).