dodecane;trioctylphosphane;dihydrobromide

C36H79Br2P — CID 173344161

IUPACdodecane;trioctylphosphane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P.C12H26.2BrH/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;1-3-5-7-9-11-12-10-8-6-4-2;;/h4-24H2,1-3H3;3-12H2,1-2H3;2*1H
InChIKeyFGDQFEVMEMSDEG-UHFFFAOYSA-N
MW702.81 g/mol
LogP15.63
Rot. Bonds30

About dodecane;trioctylphosphane;dihydrobromide

dodecane;trioctylphosphane;dihydrobromide (PubChem CID 173344161) has the molecular formula C36H79Br2P and a molecular weight of 702.81 g/mol. Its IUPAC name is dodecane;trioctylphosphane;dihydrobromide.

Molecular Properties

Compound Namedodecane;trioctylphosphane;dihydrobromide
PubChem CID173344161
Molecular FormulaC36H79Br2P
Molecular Weight702.81 g/mol
Exact Mass700.43
IUPAC Namedodecane;trioctylphosphane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C24H51P.C12H26.2BrH/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;1-3-5-7-9-11-12-10-8-6-4-2;;/h4-24H2,1-3H3;3-12H2,1-2H3;2*1H
InChIKeyFGDQFEVMEMSDEG-UHFFFAOYSA-N
XLogP15.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.81
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

azane;trioctylphosphane;hydrobromide
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CID 171559269
bismuthane;trioctylphosphane
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2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
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2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
tris(trioctylphosphane);tungsten
CID 158972203
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
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Frequently Asked Questions

What is the IUPAC name of dodecane;trioctylphosphane;dihydrobromide?
The IUPAC name of dodecane;trioctylphosphane;dihydrobromide (CID 173344161) is dodecane;trioctylphosphane;dihydrobromide.
What is the SMILES notation for dodecane;trioctylphosphane;dihydrobromide?
The canonical SMILES for dodecane;trioctylphosphane;dihydrobromide is Br.Br.CCCCCCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC.
What is the InChIKey of dodecane;trioctylphosphane;dihydrobromide?
The InChIKey is FGDQFEVMEMSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.C12H26.2BrH/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;1-3-5-7-9-11-12-10-8-6-4-2;;/h4-24H2,1-3H3;3-12H2,1-2H3;2*1H.
What are the key properties of dodecane;trioctylphosphane;dihydrobromide?
dodecane;trioctylphosphane;dihydrobromide has a molecular weight of 702.81 g/mol, XLogP of 15.63, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;trioctylphosphane;dihydrobromide is sourced from PubChem (CID 173344161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).