octylphosphane;tetramethylphosphanium;bromide

C12H31BrP2 — CID 174836712

IUPACoctylphosphane;tetramethylphosphanium;bromide
SMILESCCCCCCCCP.C[P+](C)(C)C.[Br-]
InChIInChI=1S/C8H19P.C4H12P.BrH/c1-2-3-4-5-6-7-8-9;1-5(2,3)4;/h2-9H2,1H3;1-4H3;1H/q;+1;/p-1
InChIKeyVMDSOKVMIANXED-UHFFFAOYSA-M
MW317.23 g/mol
LogP1.75
Rot. Bonds6

About octylphosphane;tetramethylphosphanium;bromide

octylphosphane;tetramethylphosphanium;bromide (PubChem CID 174836712) has the molecular formula C12H31BrP2 and a molecular weight of 317.23 g/mol. Its IUPAC name is octylphosphane;tetramethylphosphanium;bromide.

Molecular Properties

Compound Nameoctylphosphane;tetramethylphosphanium;bromide
PubChem CID174836712
Molecular FormulaC12H31BrP2
Molecular Weight317.23 g/mol
Exact Mass316.11
IUPAC Nameoctylphosphane;tetramethylphosphanium;bromide
SMILESCCCCCCCCP.C[P+](C)(C)C.[Br-]
InChIInChI=1S/C8H19P.C4H12P.BrH/c1-2-3-4-5-6-7-8-9;1-5(2,3)4;/h2-9H2,1H3;1-4H3;1H/q;+1;/p-1
InChIKeyVMDSOKVMIANXED-UHFFFAOYSA-M
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.75
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

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ruthenium;tridecylphosphane
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nonylphosphane;hydrobromide
CID 173198265
CID 158135492
CID 158135492
heptan-1-ol;heptylphosphane
CID 88830692
N,N-dimethylmethanamine;octadecylphosphane;hydrate
CID 174723462
octane;propan-2-ol
CID 160746796
hexanoic acid;tetradecylphosphane
CID 175307671
methanesulfonic acid;pentylphosphane
CID 174954558
dodecylphosphane;2-ethyldodecylphosphane
CID 122690433
butylphosphane;tellane
CID 175275309

Frequently Asked Questions

What is the IUPAC name of octylphosphane;tetramethylphosphanium;bromide?
The IUPAC name of octylphosphane;tetramethylphosphanium;bromide (CID 174836712) is octylphosphane;tetramethylphosphanium;bromide.
What is the SMILES notation for octylphosphane;tetramethylphosphanium;bromide?
The canonical SMILES for octylphosphane;tetramethylphosphanium;bromide is CCCCCCCCP.C[P+](C)(C)C.[Br-].
What is the InChIKey of octylphosphane;tetramethylphosphanium;bromide?
The InChIKey is VMDSOKVMIANXED-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19P.C4H12P.BrH/c1-2-3-4-5-6-7-8-9;1-5(2,3)4;/h2-9H2,1H3;1-4H3;1H/q;+1;/p-1.
What are the key properties of octylphosphane;tetramethylphosphanium;bromide?
octylphosphane;tetramethylphosphanium;bromide has a molecular weight of 317.23 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octylphosphane;tetramethylphosphanium;bromide is sourced from PubChem (CID 174836712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).