bromomethane;trioctylphosphane

C25H54BrP — CID 175266178

IUPACbromomethane;trioctylphosphane
SMILESCBr.CCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P.CH3Br/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2/h4-24H2,1-3H3;1H3
InChIKeyDTZFATOMCVCPTB-UHFFFAOYSA-N
MW465.59 g/mol
LogP10.56
Rot. Bonds21

About bromomethane;trioctylphosphane

bromomethane;trioctylphosphane (PubChem CID 175266178) has the molecular formula C25H54BrP and a molecular weight of 465.59 g/mol. Its IUPAC name is bromomethane;trioctylphosphane.

Molecular Properties

Compound Namebromomethane;trioctylphosphane
PubChem CID175266178
Molecular FormulaC25H54BrP
Molecular Weight465.59 g/mol
Exact Mass464.31
IUPAC Namebromomethane;trioctylphosphane
SMILESCBr.CCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P.CH3Br/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2/h4-24H2,1-3H3;1H3
InChIKeyDTZFATOMCVCPTB-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286
tris(trioctylphosphane);tungsten
CID 158972203
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
cadmium;selane;trioctylphosphane
CID 174961482
azane;trioctylphosphane;hydrobromide
CID 174675093

Frequently Asked Questions

What is the IUPAC name of bromomethane;trioctylphosphane?
The IUPAC name of bromomethane;trioctylphosphane (CID 175266178) is bromomethane;trioctylphosphane.
What is the SMILES notation for bromomethane;trioctylphosphane?
The canonical SMILES for bromomethane;trioctylphosphane is CBr.CCCCCCCCP(CCCCCCCC)CCCCCCCC.
What is the InChIKey of bromomethane;trioctylphosphane?
The InChIKey is DTZFATOMCVCPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.CH3Br/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2/h4-24H2,1-3H3;1H3.
What are the key properties of bromomethane;trioctylphosphane?
bromomethane;trioctylphosphane has a molecular weight of 465.59 g/mol, XLogP of 10.56, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;trioctylphosphane is sourced from PubChem (CID 175266178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).