tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane

C9H20Cl2P2 — CID 12548254

IUPACtert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane
SMILESCC(C)(C)P(Cl)CP(Cl)C(C)(C)C
InChIInChI=1S/C9H20Cl2P2/c1-8(2,3)12(10)7-13(11)9(4,5)6/h7H2,1-6H3
InChIKeyHQALLOQVDZXGPW-UHFFFAOYSA-N
MW261.11 g/mol
LogP5.81
Rot. Bonds2

About tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane

tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane (PubChem CID 12548254) has the molecular formula C9H20Cl2P2 and a molecular weight of 261.11 g/mol. Its IUPAC name is tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane.

Molecular Properties

Compound Nametert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane
PubChem CID12548254
Molecular FormulaC9H20Cl2P2
Molecular Weight261.11 g/mol
Exact Mass260.04
IUPAC Nametert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane
SMILESCC(C)(C)P(Cl)CP(Cl)C(C)(C)C
InChIInChI=1S/C9H20Cl2P2/c1-8(2,3)12(10)7-13(11)9(4,5)6/h7H2,1-6H3
InChIKeyHQALLOQVDZXGPW-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.11
LogP ≤ 55.81
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(chloro)phosphanyl]methyl]-chlorophosphane?
The IUPAC name of tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane (CID 12548254) is tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane.
What is the SMILES notation for tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane?
The canonical SMILES for tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane is CC(C)(C)P(Cl)CP(Cl)C(C)(C)C.
What is the InChIKey of tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane?
The InChIKey is HQALLOQVDZXGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20Cl2P2/c1-8(2,3)12(10)7-13(11)9(4,5)6/h7H2,1-6H3.
What are the key properties of tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane?
tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane has a molecular weight of 261.11 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[tert-butyl(chloro)phosphanyl]methyl]-chlorophosphane is sourced from PubChem (CID 12548254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).