cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide

C13H33BrOP2 — CID 157358455

IUPACcyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide
SMILESC[P+](C)(C)C.C[P+](C)(C)C1CCCCC1.[Br-].[OH-]
InChIInChI=1S/C9H20P.C4H12P.BrH.H2O/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h9H,4-8H2,1-3H3;1-4H3;1H;1H2/q2*+1;;/p-2
InChIKeySELYQDQDMJHIIS-UHFFFAOYSA-L
MW347.26 g/mol
LogP1.58
Rot. Bonds1

About cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide

cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide (PubChem CID 157358455) has the molecular formula C13H33BrOP2 and a molecular weight of 347.26 g/mol. Its IUPAC name is cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide.

Molecular Properties

Compound Namecyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide
PubChem CID157358455
Molecular FormulaC13H33BrOP2
Molecular Weight347.26 g/mol
Exact Mass346.12
IUPAC Namecyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide
SMILESC[P+](C)(C)C.C[P+](C)(C)C1CCCCC1.[Br-].[OH-]
InChIInChI=1S/C9H20P.C4H12P.BrH.H2O/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h9H,4-8H2,1-3H3;1-4H3;1H;1H2/q2*+1;;/p-2
InChIKeySELYQDQDMJHIIS-UHFFFAOYSA-L
XLogP1.58
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tricyclohexyl(methyl)phosphanium chloride
CID 19001088
cyclohexyl(trimethyl)phosphanium;dimethyl phosphate
CID 87177109
dicyclohexyl-methyl-propan-2-yloxyphosphanium
CID 134455233
benzene;propan-2-ylcyclohexane
CID 163364158
tricyclohexyl(2-hydroxyethyl)phosphanium bromide
CID 89438818
CID 135037332
CID 135037332
3-cyclododecylbutan-2-ol
CID 10444334
1-cycloheptylpropane-1,2-diol
CID 103452573
trichloro(cyclohexyl)phosphanium
CID 23415122
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
dimethyl hydrogen phosphate;tricyclohexyl(methyl)phosphanium
CID 174653766

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide?
The IUPAC name of cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide (CID 157358455) is cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide.
What is the SMILES notation for cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide?
The canonical SMILES for cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide is C[P+](C)(C)C.C[P+](C)(C)C1CCCCC1.[Br-].[OH-].
What is the InChIKey of cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide?
The InChIKey is SELYQDQDMJHIIS-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H20P.C4H12P.BrH.H2O/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h9H,4-8H2,1-3H3;1-4H3;1H;1H2/q2*+1;;/p-2.
What are the key properties of cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide?
cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide has a molecular weight of 347.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide is sourced from PubChem (CID 157358455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).