tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane

C18H40P2 — CID 23501433

IUPACtert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane
SMILESCC(C)CP(CCP(CC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40P2/c1-15(2)13-19(17(5,6)7)11-12-20(14-16(3)4)18(8,9)10/h15-16H,11-14H2,1-10H3
InChIKeyOGKHMBZCHLVJRD-UHFFFAOYSA-N
MW318.47 g/mol
LogP6.86
Rot. Bonds7

About tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane

tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane (PubChem CID 23501433) has the molecular formula C18H40P2 and a molecular weight of 318.47 g/mol. Its IUPAC name is tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane.

Molecular Properties

Compound Nametert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane
PubChem CID23501433
Molecular FormulaC18H40P2
Molecular Weight318.47 g/mol
Exact Mass318.26
IUPAC Nametert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane
SMILESCC(C)CP(CCP(CC(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40P2/c1-15(2)13-19(17(5,6)7)11-12-20(14-16(3)4)18(8,9)10/h15-16H,11-14H2,1-10H3
InChIKeyOGKHMBZCHLVJRD-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.47
LogP ≤ 56.86
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(dipropyl)phosphane
CID 23413210
dimethyl(2-methylpropyl)phosphane
CID 19033294
2-methylpropyl-[[2-methylpropyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane
CID 23501511
tert-butyl-iodo-propan-2-ylphosphane
CID 15791580
2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane
CID 174913828
tert-butyl-[[tert-butyl(ethyl)phosphanyl]methyl]-ethylphosphane;dihydrobromide
CID 173222583
1-[bis(2-methylpropyl)phosphanyl]ethanol
CID 89485291
bis[3-[bis(2-methylpropyl)phosphanyl]propyl]-ethylphosphane
CID 58654524
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-di(propan-2-yl)phosphanylpropan-2-yl-di(propan-2-yl)phosphane
CID 89346513
bis(2-methylpropyl)phosphanyldiazene;hydrochloride
CID 146244925

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane?
The IUPAC name of tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane (CID 23501433) is tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane.
What is the SMILES notation for tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane?
The canonical SMILES for tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane is CC(C)CP(CCP(CC(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane?
The InChIKey is OGKHMBZCHLVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40P2/c1-15(2)13-19(17(5,6)7)11-12-20(14-16(3)4)18(8,9)10/h15-16H,11-14H2,1-10H3.
What are the key properties of tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane?
tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane has a molecular weight of 318.47 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[tert-butyl(2-methylpropyl)phosphanyl]ethyl]-(2-methylpropyl)phosphane is sourced from PubChem (CID 23501433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).