CID 172865119

C4H24NO8+ — CID 172865119

IUPAC—
SMILESC[N+](C)(C)C.O.O.O.O.O.OOO
InChIInChI=1S/C4H12N.H2O3.5H2O/c1-5(2,3)4;1-3-2;;;;;/h1-4H3;1-2H;5*1H2/q+1;;;;;;
InChIKeyZWQDTGZXKGSPAI-UHFFFAOYSA-N
MW214.23 g/mol
LogP-3.85
Rot. Bonds

About CID 172865119

CID 172865119 (PubChem CID 172865119) has the molecular formula C4H24NO8+ and a molecular weight of 214.23 g/mol.

Molecular Properties

Compound NameCID 172865119
PubChem CID172865119
Molecular FormulaC4H24NO8+
Molecular Weight214.23 g/mol
Exact Mass214.15
IUPAC Name—
SMILESC[N+](C)(C)C.O.O.O.O.O.OOO
InChIInChI=1S/C4H12N.H2O3.5H2O/c1-5(2,3)4;1-3-2;;;;;/h1-4H3;1-2H;5*1H2/q+1;;;;;;
InChIKeyZWQDTGZXKGSPAI-UHFFFAOYSA-N
XLogP-3.85
TPSA207.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-3.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172865119?
The IUPAC name of CID 172865119 (CID 172865119) is not available.
What is the SMILES notation for CID 172865119?
The canonical SMILES for CID 172865119 is C[N+](C)(C)C.O.O.O.O.O.OOO.
What is the InChIKey of CID 172865119?
The InChIKey is ZWQDTGZXKGSPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.H2O3.5H2O/c1-5(2,3)4;1-3-2;;;;;/h1-4H3;1-2H;5*1H2/q+1;;;;;;.
What are the key properties of CID 172865119?
CID 172865119 has a molecular weight of 214.23 g/mol, XLogP of -3.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172865119 is sourced from PubChem (CID 172865119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).