cyclooctane;nitric acid

C8H17NO3 — CID 162188863

IUPACcyclooctane;nitric acid
SMILESC1CCCCCCC1.O=[N+]([O-])O
InChIInChI=1S/C8H16.HNO3/c1-2-4-6-8-7-5-3-1;2-1(3)4/h1-8H2;(H,2,3,4)
InChIKeyZQAIWCINFFWWTB-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.77
Rot. Bonds

About cyclooctane;nitric acid

cyclooctane;nitric acid (PubChem CID 162188863) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is cyclooctane;nitric acid.

Molecular Properties

Compound Namecyclooctane;nitric acid
PubChem CID162188863
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namecyclooctane;nitric acid
SMILESC1CCCCCCC1.O=[N+]([O-])O
InChIInChI=1S/C8H16.HNO3/c1-2-4-6-8-7-5-3-1;2-1(3)4/h1-8H2;(H,2,3,4)
InChIKeyZQAIWCINFFWWTB-UHFFFAOYSA-N
XLogP2.77
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclooctane;nitric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclooctane;nitric acid?
The IUPAC name of cyclooctane;nitric acid (CID 162188863) is cyclooctane;nitric acid.
What is the SMILES notation for cyclooctane;nitric acid?
The canonical SMILES for cyclooctane;nitric acid is C1CCCCCCC1.O=[N+]([O-])O.
What is the InChIKey of cyclooctane;nitric acid?
The InChIKey is ZQAIWCINFFWWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.HNO3/c1-2-4-6-8-7-5-3-1;2-1(3)4/h1-8H2;(H,2,3,4).
What are the key properties of cyclooctane;nitric acid?
cyclooctane;nitric acid has a molecular weight of 175.23 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctane;nitric acid is sourced from PubChem (CID 162188863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).