tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide

C13H32Br2P2 — CID 173222583

IUPACtert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide
SMILESBr.Br.CCP(CP(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30P2.2BrH/c1-9-14(12(3,4)5)11-15(10-2)13(6,7)8;;/h9-11H2,1-8H3;2*1H
InChIKeyLWVPLQPGYWZATB-UHFFFAOYSA-N
MW410.16 g/mol
LogP6.70
Rot. Bonds4

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

tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide (PubChem CID 173222583) has the molecular formula C13H32Br2P2 and a molecular weight of 410.16 g/mol. Its IUPAC name is tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide.

Molecular Properties

Compound Nametert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide
PubChem CID173222583
Molecular FormulaC13H32Br2P2
Molecular Weight410.16 g/mol
Exact Mass408.03
IUPAC Nametert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide
SMILESBr.Br.CCP(CP(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30P2.2BrH/c1-9-14(12(3,4)5)11-15(10-2)13(6,7)8;;/h9-11H2,1-8H3;2*1H
InChIKeyLWVPLQPGYWZATB-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.16
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide?
The IUPAC name of tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide (CID 173222583) is tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide.
What is the SMILES notation for tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide?
The canonical SMILES for tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide is Br.Br.CCP(CP(CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide?
The InChIKey is LWVPLQPGYWZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P2.2BrH/c1-9-14(12(3,4)5)11-15(10-2)13(6,7)8;;/h9-11H2,1-8H3;2*1H.
What are the key properties of tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide?
tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide has a molecular weight of 410.16 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide is sourced from PubChem (CID 173222583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).