1,2,2-tricyclohexylethenylphosphanium bromide

C20H36BrP — CID 160745709

IUPAC1,2,2-tricyclohexylethenylphosphanium bromide
SMILES[Br-].[PH3+]C(=C(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35P.BrH/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;/h16-18H,1-15,21H2;1H
InChIKeyRWDYXGRHQKQWMF-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.59
Rot. Bonds3

About 1,2,2-tricyclohexylethenylphosphanium bromide

1,2,2-tricyclohexylethenylphosphanium bromide (PubChem CID 160745709) has the molecular formula C20H36BrP and a molecular weight of 387.39 g/mol. Its IUPAC name is 1,2,2-tricyclohexylethenylphosphanium bromide.

Molecular Properties

Compound Name1,2,2-tricyclohexylethenylphosphanium bromide
PubChem CID160745709
Molecular FormulaC20H36BrP
Molecular Weight387.39 g/mol
Exact Mass386.17
IUPAC Name1,2,2-tricyclohexylethenylphosphanium bromide
SMILES[Br-].[PH3+]C(=C(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35P.BrH/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;/h16-18H,1-15,21H2;1H
InChIKeyRWDYXGRHQKQWMF-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylethanethione
CID 13294348
(1-cyclohexyl-2-ethylpent-1-enyl)cyclohexane
CID 172560766
2,3,3-tri(cyclodecyl)prop-2-enoic acid
CID 19602211
1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane
CID 90009896
1-cycloheptylbutan-1-one
CID 54353743
1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane
CID 141336114
N-(1-cyclohexylethenyl)methanimine
CID 123927347
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469

Frequently Asked Questions

What is the IUPAC name of 1,2,2-tricyclohexylethenylphosphanium bromide?
The IUPAC name of 1,2,2-tricyclohexylethenylphosphanium bromide (CID 160745709) is 1,2,2-tricyclohexylethenylphosphanium bromide.
What is the SMILES notation for 1,2,2-tricyclohexylethenylphosphanium bromide?
The canonical SMILES for 1,2,2-tricyclohexylethenylphosphanium bromide is [Br-].[PH3+]C(=C(C1CCCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,2,2-tricyclohexylethenylphosphanium bromide?
The InChIKey is RWDYXGRHQKQWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35P.BrH/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;/h16-18H,1-15,21H2;1H.
What are the key properties of 1,2,2-tricyclohexylethenylphosphanium bromide?
1,2,2-tricyclohexylethenylphosphanium bromide has a molecular weight of 387.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tricyclohexylethenylphosphanium bromide is sourced from PubChem (CID 160745709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).