cyclohexyloxy-oxo-propan-2-yloxyazanium

C9H18NO3+ — CID 66926014

IUPACcyclohexyloxy-oxo-propan-2-yloxyazanium
SMILESCC(C)O[N+](=O)OC1CCCCC1
InChIInChI=1S/C9H18NO3/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/q+1
InChIKeyMNFBHXJCWQSMTK-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.37
Rot. Bonds4

About cyclohexyloxy-oxo-propan-2-yloxyazanium

cyclohexyloxy-oxo-propan-2-yloxyazanium (PubChem CID 66926014) has the molecular formula C9H18NO3+ and a molecular weight of 188.25 g/mol. Its IUPAC name is cyclohexyloxy-oxo-propan-2-yloxyazanium.

Molecular Properties

Compound Namecyclohexyloxy-oxo-propan-2-yloxyazanium
PubChem CID66926014
Molecular FormulaC9H18NO3+
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Namecyclohexyloxy-oxo-propan-2-yloxyazanium
SMILESCC(C)O[N+](=O)OC1CCCCC1
InChIInChI=1S/C9H18NO3/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/q+1
InChIKeyMNFBHXJCWQSMTK-UHFFFAOYSA-N
XLogP2.37
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-oxo-propan-2-yloxyazanium?
The IUPAC name of cyclohexyloxy-oxo-propan-2-yloxyazanium (CID 66926014) is cyclohexyloxy-oxo-propan-2-yloxyazanium.
What is the SMILES notation for cyclohexyloxy-oxo-propan-2-yloxyazanium?
The canonical SMILES for cyclohexyloxy-oxo-propan-2-yloxyazanium is CC(C)O[N+](=O)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy-oxo-propan-2-yloxyazanium?
The InChIKey is MNFBHXJCWQSMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/q+1.
What are the key properties of cyclohexyloxy-oxo-propan-2-yloxyazanium?
cyclohexyloxy-oxo-propan-2-yloxyazanium has a molecular weight of 188.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-oxo-propan-2-yloxyazanium is sourced from PubChem (CID 66926014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).