tert-butyl-(2-phosphanylphenyl)phosphane

C10H16P2 — CID 16700113

IUPACtert-butyl-(2-phosphanylphenyl)phosphane
SMILESCC(C)(C)Pc1ccccc1P
InChIInChI=1S/C10H16P2/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7,12H,11H2,1-3H3
InChIKeyIBSRGEYAPPWDSU-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.29
Rot. Bonds1

About tert-butyl-(2-phosphanylphenyl)phosphane

tert-butyl-(2-phosphanylphenyl)phosphane (PubChem CID 16700113) has the molecular formula C10H16P2 and a molecular weight of 198.19 g/mol. Its IUPAC name is tert-butyl-(2-phosphanylphenyl)phosphane.

Molecular Properties

Compound Nametert-butyl-(2-phosphanylphenyl)phosphane
PubChem CID16700113
Molecular FormulaC10H16P2
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Nametert-butyl-(2-phosphanylphenyl)phosphane
SMILESCC(C)(C)Pc1ccccc1P
InChIInChI=1S/C10H16P2/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7,12H,11H2,1-3H3
InChIKeyIBSRGEYAPPWDSU-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.29
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-(2-phosphanylphenyl)phosphane?
The IUPAC name of tert-butyl-(2-phosphanylphenyl)phosphane (CID 16700113) is tert-butyl-(2-phosphanylphenyl)phosphane.
What is the SMILES notation for tert-butyl-(2-phosphanylphenyl)phosphane?
The canonical SMILES for tert-butyl-(2-phosphanylphenyl)phosphane is CC(C)(C)Pc1ccccc1P.
What is the InChIKey of tert-butyl-(2-phosphanylphenyl)phosphane?
The InChIKey is IBSRGEYAPPWDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16P2/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7,12H,11H2,1-3H3.
What are the key properties of tert-butyl-(2-phosphanylphenyl)phosphane?
tert-butyl-(2-phosphanylphenyl)phosphane has a molecular weight of 198.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-phosphanylphenyl)phosphane is sourced from PubChem (CID 16700113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).