butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide

C17H40Br2P2 — CID 173222621

IUPACbutyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide
SMILESBr.Br.CCCCP(CP(CCCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38P2.2BrH/c1-9-11-13-18(16(3,4)5)15-19(14-12-10-2)17(6,7)8;;/h9-15H2,1-8H3;2*1H
InChIKeyYCNLDHRFVDKJKT-UHFFFAOYSA-N
MW466.26 g/mol
LogP8.26
Rot. Bonds8

About butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide

butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide (PubChem CID 173222621) has the molecular formula C17H40Br2P2 and a molecular weight of 466.26 g/mol. Its IUPAC name is butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide.

Molecular Properties

Compound Namebutyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide
PubChem CID173222621
Molecular FormulaC17H40Br2P2
Molecular Weight466.26 g/mol
Exact Mass464.10
IUPAC Namebutyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide
SMILESBr.Br.CCCCP(CP(CCCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38P2.2BrH/c1-9-11-13-18(16(3,4)5)15-19(14-12-10-2)17(6,7)8;;/h9-15H2,1-8H3;2*1H
InChIKeyYCNLDHRFVDKJKT-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.26
LogP ≤ 58.26
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

tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide
CID 173222583
tert-butyl(dipropyl)phosphane
CID 23413210
pentane;tritert-butylphosphane
CID 175086214
methane;pentane;phosphane
CID 162253317
dibutyl-[dimethylphosphanyl-bis[(2-methylpropan-2-yl)oxy]methyl]phosphane
CID 140963488
3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane
CID 140640311
dibutyl-[[butyl(dibutylphosphanylmethyl)phosphanyl]methyl]phosphane
CID 90109683
butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane
CID 175949871
icosane;phosphane;hydrobromide
CID 172836983
dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane
CID 90109988
ruthenium;tetrakis(tributylphosphane)
CID 137286049
gold;tributylphosphane
CID 88800341

Frequently Asked Questions

What is the IUPAC name of butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide?
The IUPAC name of butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide (CID 173222621) is butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide.
What is the SMILES notation for butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide?
The canonical SMILES for butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide is Br.Br.CCCCP(CP(CCCC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide?
The InChIKey is YCNLDHRFVDKJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38P2.2BrH/c1-9-11-13-18(16(3,4)5)15-19(14-12-10-2)17(6,7)8;;/h9-15H2,1-8H3;2*1H.
What are the key properties of butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide?
butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide has a molecular weight of 466.26 g/mol, XLogP of 8.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide is sourced from PubChem (CID 173222621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).