icosane;phosphane;hydrobromide

C20H46BrP — CID 172836983

IUPACicosane;phosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCC.P
InChIInChI=1S/C20H42.BrH.H3P/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;/h3-20H2,1-2H3;1H;1H3
InChIKeyWGYDNLVXIPEXMS-UHFFFAOYSA-N
MW397.47 g/mol
LogP8.68
Rot. Bonds17

About icosane;phosphane;hydrobromide

icosane;phosphane;hydrobromide (PubChem CID 172836983) has the molecular formula C20H46BrP and a molecular weight of 397.47 g/mol. Its IUPAC name is icosane;phosphane;hydrobromide.

Molecular Properties

Compound Nameicosane;phosphane;hydrobromide
PubChem CID172836983
Molecular FormulaC20H46BrP
Molecular Weight397.47 g/mol
Exact Mass396.25
IUPAC Nameicosane;phosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCC.P
InChIInChI=1S/C20H42.BrH.H3P/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;/h3-20H2,1-2H3;1H;1H3
InChIKeyWGYDNLVXIPEXMS-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 58.68
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

undecane;dihydrobromide
CID 172838591
azane;bis(octadecane);hydrobromide
CID 174053735
heptane;phosphane;trihydrochloride
CID 175501735
dodecane;phosphane;dihydrochloride
CID 173449681
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of icosane;phosphane;hydrobromide?
The IUPAC name of icosane;phosphane;hydrobromide (CID 172836983) is icosane;phosphane;hydrobromide.
What is the SMILES notation for icosane;phosphane;hydrobromide?
The canonical SMILES for icosane;phosphane;hydrobromide is Br.CCCCCCCCCCCCCCCCCCCC.P.
What is the InChIKey of icosane;phosphane;hydrobromide?
The InChIKey is WGYDNLVXIPEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42.BrH.H3P/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;/h3-20H2,1-2H3;1H;1H3.
What are the key properties of icosane;phosphane;hydrobromide?
icosane;phosphane;hydrobromide has a molecular weight of 397.47 g/mol, XLogP of 8.68, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosane;phosphane;hydrobromide is sourced from PubChem (CID 172836983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).