tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium

C24H44O2P+ — CID 140575201

IUPACtricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium
SMILESOC1CCC(O)C([P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C24H44O2P/c25-19-16-17-23(26)24(18-19)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h19-26H,1-18H2/q+1
InChIKeyUEUZLUHCWNXYDF-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.28
Rot. Bonds4

About tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium

tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium (PubChem CID 140575201) has the molecular formula C24H44O2P+ and a molecular weight of 395.59 g/mol. Its IUPAC name is tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium.

Molecular Properties

Compound Nametricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium
PubChem CID140575201
Molecular FormulaC24H44O2P+
Molecular Weight395.59 g/mol
Exact Mass395.31
IUPAC Nametricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium
SMILESOC1CCC(O)C([P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C24H44O2P/c25-19-16-17-23(26)24(18-19)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h19-26H,1-18H2/q+1
InChIKeyUEUZLUHCWNXYDF-UHFFFAOYSA-N
XLogP6.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium?
The IUPAC name of tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium (CID 140575201) is tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium.
What is the SMILES notation for tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium?
The canonical SMILES for tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium is OC1CCC(O)C([P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C1.
What is the InChIKey of tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium?
The InChIKey is UEUZLUHCWNXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2P/c25-19-16-17-23(26)24(18-19)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h19-26H,1-18H2/q+1.
What are the key properties of tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium?
tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium has a molecular weight of 395.59 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium is sourced from PubChem (CID 140575201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).