tributyl(cyclohexyloxy)phosphanium

C18H38OP+ — CID 23415292

IUPACtributyl(cyclohexyloxy)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)OC1CCCCC1
InChIInChI=1S/C18H38OP/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h18H,4-17H2,1-3H3/q+1
InChIKeyHIMMEHUMMIZAHI-UHFFFAOYSA-N
MW301.47 g/mol
LogP6.67
Rot. Bonds11

About tributyl(cyclohexyloxy)phosphanium

tributyl(cyclohexyloxy)phosphanium (PubChem CID 23415292) has the molecular formula C18H38OP+ and a molecular weight of 301.47 g/mol. Its IUPAC name is tributyl(cyclohexyloxy)phosphanium.

Molecular Properties

Compound Nametributyl(cyclohexyloxy)phosphanium
PubChem CID23415292
Molecular FormulaC18H38OP+
Molecular Weight301.47 g/mol
Exact Mass301.27
IUPAC Nametributyl(cyclohexyloxy)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)OC1CCCCC1
InChIInChI=1S/C18H38OP/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h18H,4-17H2,1-3H3/q+1
InChIKeyHIMMEHUMMIZAHI-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 56.67
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

octan-4-ylperoxycyclohexane
CID 175376099
undecan-5-ylcyclohexane
CID 524419
cyclohexyl carbonate;tetrabutylphosphanium
CID 66627330
heptane;methoxycyclopentane
CID 131735357
(1,1-dicyclohexyl-2-methylhexyl)cyclohexane
CID 141441140
1-cyclopropylpentylcycloheptane
CID 91177068
boranuide;tributyl(cyclohexyl)phosphanium
CID 173280265
1-cycloheptyloxy-3-ethylheptan-2-one
CID 134575358
1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene
CID 23504138
[(E)-oct-2-en-4-yl]cyclohexane
CID 134979965
1-cycloheptylheptan-2-amine
CID 115837607
N-(2-cyclohexyloxyethyl)heptan-3-amine
CID 63946956

Frequently Asked Questions

What is the IUPAC name of tributyl(cyclohexyloxy)phosphanium?
The IUPAC name of tributyl(cyclohexyloxy)phosphanium (CID 23415292) is tributyl(cyclohexyloxy)phosphanium.
What is the SMILES notation for tributyl(cyclohexyloxy)phosphanium?
The canonical SMILES for tributyl(cyclohexyloxy)phosphanium is CCCC[P+](CCCC)(CCCC)OC1CCCCC1.
What is the InChIKey of tributyl(cyclohexyloxy)phosphanium?
The InChIKey is HIMMEHUMMIZAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38OP/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h18H,4-17H2,1-3H3/q+1.
What are the key properties of tributyl(cyclohexyloxy)phosphanium?
tributyl(cyclohexyloxy)phosphanium has a molecular weight of 301.47 g/mol, XLogP of 6.67, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(cyclohexyloxy)phosphanium is sourced from PubChem (CID 23415292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).