3,4-diethylicosan-3-ylphosphane;hydrobromide

C24H52BrP — CID 173024292

IUPAC3,4-diethylicosan-3-ylphosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(CC)C(P)(CC)CC
InChIInChI=1S/C24H51P.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(25,7-3)8-4;/h23H,5-22,25H2,1-4H3;1H
InChIKeyUKJSXEUWXQZPNP-UHFFFAOYSA-N
MW451.56 g/mol
LogP9.90
Rot. Bonds19

About 3,4-diethylicosan-3-ylphosphane;hydrobromide

3,4-diethylicosan-3-ylphosphane;hydrobromide (PubChem CID 173024292) has the molecular formula C24H52BrP and a molecular weight of 451.56 g/mol. Its IUPAC name is 3,4-diethylicosan-3-ylphosphane;hydrobromide.

Molecular Properties

Compound Name3,4-diethylicosan-3-ylphosphane;hydrobromide
PubChem CID173024292
Molecular FormulaC24H52BrP
Molecular Weight451.56 g/mol
Exact Mass450.30
IUPAC Name3,4-diethylicosan-3-ylphosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(CC)C(P)(CC)CC
InChIInChI=1S/C24H51P.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(25,7-3)8-4;/h23H,5-22,25H2,1-4H3;1H
InChIKeyUKJSXEUWXQZPNP-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 59.90
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

3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
3,4-diethyldecan-3-ylphosphane;methanesulfonic acid
CID 173110597
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
7,8-dihexylicosan-7-ylphosphane
CID 18442252
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylicosan-3-ylphosphane;hydrobromide?
The IUPAC name of 3,4-diethylicosan-3-ylphosphane;hydrobromide (CID 173024292) is 3,4-diethylicosan-3-ylphosphane;hydrobromide.
What is the SMILES notation for 3,4-diethylicosan-3-ylphosphane;hydrobromide?
The canonical SMILES for 3,4-diethylicosan-3-ylphosphane;hydrobromide is Br.CCCCCCCCCCCCCCCCC(CC)C(P)(CC)CC.
What is the InChIKey of 3,4-diethylicosan-3-ylphosphane;hydrobromide?
The InChIKey is UKJSXEUWXQZPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(25,7-3)8-4;/h23H,5-22,25H2,1-4H3;1H.
What are the key properties of 3,4-diethylicosan-3-ylphosphane;hydrobromide?
3,4-diethylicosan-3-ylphosphane;hydrobromide has a molecular weight of 451.56 g/mol, XLogP of 9.90, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylicosan-3-ylphosphane;hydrobromide is sourced from PubChem (CID 173024292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).