bis(1-adamantyl)-butylphosphane;hydrobromide

C24H40BrP — CID 153370159

IUPACbis(1-adamantyl)-butylphosphane;hydrobromide
SMILESBr.CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H39P.BrH/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;/h17-22H,2-16H2,1H3;1H
InChIKeyNRKOFCWQYDLEDC-UHFFFAOYSA-N
MW439.46 g/mol
LogP7.78
Rot. Bonds5

About bis(1-adamantyl)-butylphosphane;hydrobromide

bis(1-adamantyl)-butylphosphane;hydrobromide (PubChem CID 153370159) has the molecular formula C24H40BrP and a molecular weight of 439.46 g/mol. Its IUPAC name is bis(1-adamantyl)-butylphosphane;hydrobromide.

Molecular Properties

Compound Namebis(1-adamantyl)-butylphosphane;hydrobromide
PubChem CID153370159
Molecular FormulaC24H40BrP
Molecular Weight439.46 g/mol
Exact Mass438.21
IUPAC Namebis(1-adamantyl)-butylphosphane;hydrobromide
SMILESBr.CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H39P.BrH/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;/h17-22H,2-16H2,1H3;1H
InChIKeyNRKOFCWQYDLEDC-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane
CID 122694035
acetonitrile;bis(bis(1-adamantyl)-butylphosphane);palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
CID 174104461
adamantane;hexane
CID 157109132
1-hexyladamantane
CID 585171
bis(1-adamantyl)-prop-2-enylphosphane
CID 11633204
bis(1-adamantyl)-propan-2-ylphosphane
CID 12040497
adamantane-1-thiol;butane-1-thiol
CID 157153283
(2S)-3-[bis(1-adamantyl)phosphanyl]-2-methylpropanenitrile
CID 11314683
1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane
CID 23105437
1-(1-adamantyl)pentan-1-one
CID 526927
CID 87817296
CID 87817296
bis(1-adamantyl)-[(3,4-dimethylcyclohexyl)methyl]phosphane
CID 68743220

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantyl)-butylphosphane;hydrobromide?
The IUPAC name of bis(1-adamantyl)-butylphosphane;hydrobromide (CID 153370159) is bis(1-adamantyl)-butylphosphane;hydrobromide.
What is the SMILES notation for bis(1-adamantyl)-butylphosphane;hydrobromide?
The canonical SMILES for bis(1-adamantyl)-butylphosphane;hydrobromide is Br.CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of bis(1-adamantyl)-butylphosphane;hydrobromide?
The InChIKey is NRKOFCWQYDLEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39P.BrH/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;/h17-22H,2-16H2,1H3;1H.
What are the key properties of bis(1-adamantyl)-butylphosphane;hydrobromide?
bis(1-adamantyl)-butylphosphane;hydrobromide has a molecular weight of 439.46 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-butylphosphane;hydrobromide is sourced from PubChem (CID 153370159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).