aluminum;butan-1-ol;trinitrate

C4H10AlN3O10 — CID 174555248

IUPACaluminum;butan-1-ol;trinitrate
SMILESCCCCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Al+3]
InChIInChI=1S/C4H10O.Al.3NO3/c1-2-3-4-5;;3*2-1(3)4/h5H,2-4H2,1H3;;;;/q;+3;3*-1
InChIKeyBNZCYVALPBDHJE-UHFFFAOYSA-N
MW287.12 g/mol
LogP-0.32
Rot. Bonds2

About aluminum;butan-1-ol;trinitrate

aluminum;butan-1-ol;trinitrate (PubChem CID 174555248) has the molecular formula C4H10AlN3O10 and a molecular weight of 287.12 g/mol. Its IUPAC name is aluminum;butan-1-ol;trinitrate.

Molecular Properties

Compound Namealuminum;butan-1-ol;trinitrate
PubChem CID174555248
Molecular FormulaC4H10AlN3O10
Molecular Weight287.12 g/mol
Exact Mass287.02
IUPAC Namealuminum;butan-1-ol;trinitrate
SMILESCCCCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Al+3]
InChIInChI=1S/C4H10O.Al.3NO3/c1-2-3-4-5;;3*2-1(3)4/h5H,2-4H2,1H3;;;;/q;+3;3*-1
InChIKeyBNZCYVALPBDHJE-UHFFFAOYSA-N
XLogP-0.32
TPSA218.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

tetrakis(butan-1-ol);oxozirconium
CID 173370140
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635

Frequently Asked Questions

What is the IUPAC name of aluminum;butan-1-ol;trinitrate?
The IUPAC name of aluminum;butan-1-ol;trinitrate (CID 174555248) is aluminum;butan-1-ol;trinitrate.
What is the SMILES notation for aluminum;butan-1-ol;trinitrate?
The canonical SMILES for aluminum;butan-1-ol;trinitrate is CCCCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Al+3].
What is the InChIKey of aluminum;butan-1-ol;trinitrate?
The InChIKey is BNZCYVALPBDHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Al.3NO3/c1-2-3-4-5;;3*2-1(3)4/h5H,2-4H2,1H3;;;;/q;+3;3*-1.
What are the key properties of aluminum;butan-1-ol;trinitrate?
aluminum;butan-1-ol;trinitrate has a molecular weight of 287.12 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;butan-1-ol;trinitrate is sourced from PubChem (CID 174555248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).