tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium

C18H36N2O2P+ — CID 146342984

IUPACtert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium
SMILESCC(C)(C)[P+](C1CCCCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H36N2O2P/c1-18(2,3)23(17-7-5-4-6-8-17,19-9-13-21-14-10-19)20-11-15-22-16-12-20/h17H,4-16H2,1-3H3/q+1
InChIKeyKUTDKUCAKFYBPX-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.63
Rot. Bonds3

About tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium

tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium (PubChem CID 146342984) has the molecular formula C18H36N2O2P+ and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium.

Molecular Properties

Compound Nametert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium
PubChem CID146342984
Molecular FormulaC18H36N2O2P+
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium
SMILESCC(C)(C)[P+](C1CCCCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H36N2O2P/c1-18(2,3)23(17-7-5-4-6-8-17,19-9-13-21-14-10-19)20-11-15-22-16-12-20/h17H,4-16H2,1-3H3/q+1
InChIKeyKUTDKUCAKFYBPX-UHFFFAOYSA-N
XLogP3.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium?
The IUPAC name of tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium (CID 146342984) is tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium.
What is the SMILES notation for tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium?
The canonical SMILES for tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium is CC(C)(C)[P+](C1CCCCC1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium?
The InChIKey is KUTDKUCAKFYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2P/c1-18(2,3)23(17-7-5-4-6-8-17,19-9-13-21-14-10-19)20-11-15-22-16-12-20/h17H,4-16H2,1-3H3/q+1.
What are the key properties of tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium?
tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium has a molecular weight of 343.47 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium is sourced from PubChem (CID 146342984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).