1-butoxybutane;nitric acid

C8H19NO4 — CID 157220859

IUPAC1-butoxybutane;nitric acid
SMILESCCCCOCCCC.O=[N+]([O-])O
InChIInChI=1S/C8H18O.HNO3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-8H2,1-2H3;(H,2,3,4)
InChIKeyASYZCSRPCJPJAM-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.26
Rot. Bonds6

About 1-butoxybutane;nitric acid

1-butoxybutane;nitric acid (PubChem CID 157220859) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-butoxybutane;nitric acid.

Molecular Properties

Compound Name1-butoxybutane;nitric acid
PubChem CID157220859
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-butoxybutane;nitric acid
SMILESCCCCOCCCC.O=[N+]([O-])O
InChIInChI=1S/C8H18O.HNO3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-8H2,1-2H3;(H,2,3,4)
InChIKeyASYZCSRPCJPJAM-UHFFFAOYSA-N
XLogP2.26
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;nitric acid?
The IUPAC name of 1-butoxybutane;nitric acid (CID 157220859) is 1-butoxybutane;nitric acid.
What is the SMILES notation for 1-butoxybutane;nitric acid?
The canonical SMILES for 1-butoxybutane;nitric acid is CCCCOCCCC.O=[N+]([O-])O.
What is the InChIKey of 1-butoxybutane;nitric acid?
The InChIKey is ASYZCSRPCJPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.HNO3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-8H2,1-2H3;(H,2,3,4).
What are the key properties of 1-butoxybutane;nitric acid?
1-butoxybutane;nitric acid has a molecular weight of 193.24 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;nitric acid is sourced from PubChem (CID 157220859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).