dicyclohexyloxy(oxo)azanium

C12H22NO3+ — CID 57042378

IUPACdicyclohexyloxy(oxo)azanium
SMILESO=[N+](OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H22NO3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2/q+1
InChIKeyWULMNBREGHMQHE-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.29
Rot. Bonds4

About dicyclohexyloxy(oxo)azanium

dicyclohexyloxy(oxo)azanium (PubChem CID 57042378) has the molecular formula C12H22NO3+ and a molecular weight of 228.31 g/mol. Its IUPAC name is dicyclohexyloxy(oxo)azanium.

Molecular Properties

Compound Namedicyclohexyloxy(oxo)azanium
PubChem CID57042378
Molecular FormulaC12H22NO3+
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Namedicyclohexyloxy(oxo)azanium
SMILESO=[N+](OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H22NO3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2/q+1
InChIKeyWULMNBREGHMQHE-UHFFFAOYSA-N
XLogP3.29
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.29
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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Related Compounds

cyclohexyloxy-oxo-propan-2-yloxyazanium
CID 66926014
cyclododecyl nitrate
CID 13304339
cyclohexyloxy nitrate
CID 100959003
di(cyclooctyloxy)-oxophosphanium
CID 164745910
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
cyclononyl formate
CID 87065625
dicyclononyl carbonate
CID 139618210
formaldehyde;methoxycyclohexane
CID 142252216
phosphorosooxycyclohexane
CID 18717017
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclohexyl sulfite
CID 557841

Frequently Asked Questions

What is the IUPAC name of dicyclohexyloxy(oxo)azanium?
The IUPAC name of dicyclohexyloxy(oxo)azanium (CID 57042378) is dicyclohexyloxy(oxo)azanium.
What is the SMILES notation for dicyclohexyloxy(oxo)azanium?
The canonical SMILES for dicyclohexyloxy(oxo)azanium is O=[N+](OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyloxy(oxo)azanium?
The InChIKey is WULMNBREGHMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2/q+1.
What are the key properties of dicyclohexyloxy(oxo)azanium?
dicyclohexyloxy(oxo)azanium has a molecular weight of 228.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyloxy(oxo)azanium is sourced from PubChem (CID 57042378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).