tricyclohexyl(2-hydroxyethyl)phosphanium bromide

C20H38BrOP — CID 89438818

IUPACtricyclohexyl(2-hydroxyethyl)phosphanium bromide
SMILESOCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Br-]
InChIInChI=1S/C20H38OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h18-21H,1-17H2;1H/q+1;/p-1
InChIKeyWKCFAOYSJZJPTR-UHFFFAOYSA-M
MW405.40 g/mol
LogP3.00
Rot. Bonds5

About tricyclohexyl(2-hydroxyethyl)phosphanium bromide

tricyclohexyl(2-hydroxyethyl)phosphanium bromide (PubChem CID 89438818) has the molecular formula C20H38BrOP and a molecular weight of 405.40 g/mol. Its IUPAC name is tricyclohexyl(2-hydroxyethyl)phosphanium bromide.

Molecular Properties

Compound Nametricyclohexyl(2-hydroxyethyl)phosphanium bromide
PubChem CID89438818
Molecular FormulaC20H38BrOP
Molecular Weight405.40 g/mol
Exact Mass404.18
IUPAC Nametricyclohexyl(2-hydroxyethyl)phosphanium bromide
SMILESOCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Br-]
InChIInChI=1S/C20H38OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h18-21H,1-17H2;1H/q+1;/p-1
InChIKeyWKCFAOYSJZJPTR-UHFFFAOYSA-M
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-hydroxyethyl)phosphanium bromide?
The IUPAC name of tricyclohexyl(2-hydroxyethyl)phosphanium bromide (CID 89438818) is tricyclohexyl(2-hydroxyethyl)phosphanium bromide.
What is the SMILES notation for tricyclohexyl(2-hydroxyethyl)phosphanium bromide?
The canonical SMILES for tricyclohexyl(2-hydroxyethyl)phosphanium bromide is OCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Br-].
What is the InChIKey of tricyclohexyl(2-hydroxyethyl)phosphanium bromide?
The InChIKey is WKCFAOYSJZJPTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H38OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h18-21H,1-17H2;1H/q+1;/p-1.
What are the key properties of tricyclohexyl(2-hydroxyethyl)phosphanium bromide?
tricyclohexyl(2-hydroxyethyl)phosphanium bromide has a molecular weight of 405.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexyl(2-hydroxyethyl)phosphanium bromide is sourced from PubChem (CID 89438818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).