butoxy(dibutyl)phosphane;nitric acid

C12H28NO4P — CID 173424261

IUPACbutoxy(dibutyl)phosphane;nitric acid
SMILESCCCCOP(CCCC)CCCC.O=[N+]([O-])O
InChIInChI=1S/C12H27OP.HNO3/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;2-1(3)4/h4-12H2,1-3H3;(H,2,3,4)
InChIKeyDJGMKFUPUOTFFJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.45
Rot. Bonds10

About butoxy(dibutyl)phosphane;nitric acid

butoxy(dibutyl)phosphane;nitric acid (PubChem CID 173424261) has the molecular formula C12H28NO4P and a molecular weight of 281.33 g/mol. Its IUPAC name is butoxy(dibutyl)phosphane;nitric acid.

Molecular Properties

Compound Namebutoxy(dibutyl)phosphane;nitric acid
PubChem CID173424261
Molecular FormulaC12H28NO4P
Molecular Weight281.33 g/mol
Exact Mass281.18
IUPAC Namebutoxy(dibutyl)phosphane;nitric acid
SMILESCCCCOP(CCCC)CCCC.O=[N+]([O-])O
InChIInChI=1S/C12H27OP.HNO3/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;2-1(3)4/h4-12H2,1-3H3;(H,2,3,4)
InChIKeyDJGMKFUPUOTFFJ-UHFFFAOYSA-N
XLogP4.45
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
1-(nitromethoxy)butane
CID 123841450
tris(nitric acid);tris(octan-1-amine)
CID 173444772
butyl 2-nitroacetate
CID 14288166
butane;ethanamine;bis(nitric acid)
CID 175325430
phosphane;tetradecyl nitrate
CID 174825024
N-dodecyl-N-heptyldodecan-1-amine;nitric acid
CID 175333869
diethyl(hexoxy)phosphane
CID 87283104
butyl-ethoxy-ethylphosphane
CID 20529879
dibutylphosphanyl trifluoromethanesulfonate;silver
CID 174435090
nitric acid;octadecanoic acid
CID 87918075

Frequently Asked Questions

What is the IUPAC name of butoxy(dibutyl)phosphane;nitric acid?
The IUPAC name of butoxy(dibutyl)phosphane;nitric acid (CID 173424261) is butoxy(dibutyl)phosphane;nitric acid.
What is the SMILES notation for butoxy(dibutyl)phosphane;nitric acid?
The canonical SMILES for butoxy(dibutyl)phosphane;nitric acid is CCCCOP(CCCC)CCCC.O=[N+]([O-])O.
What is the InChIKey of butoxy(dibutyl)phosphane;nitric acid?
The InChIKey is DJGMKFUPUOTFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OP.HNO3/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;2-1(3)4/h4-12H2,1-3H3;(H,2,3,4).
What are the key properties of butoxy(dibutyl)phosphane;nitric acid?
butoxy(dibutyl)phosphane;nitric acid has a molecular weight of 281.33 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(dibutyl)phosphane;nitric acid is sourced from PubChem (CID 173424261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).