tert-butyl-methyl-propan-2-ylphosphane

C8H19P — CID 546133

IUPACtert-butyl-methyl-propan-2-ylphosphane
SMILESCC(C)P(C)C(C)(C)C
InChIInChI=1S/C8H19P/c1-7(2)9(6)8(3,4)5/h7H,1-6H3
InChIKeyZETSTNUFDFQHMN-UHFFFAOYSA-N
MW146.21 g/mol
LogP3.31
Rot. Bonds1

About tert-butyl-methyl-propan-2-ylphosphane

tert-butyl-methyl-propan-2-ylphosphane (PubChem CID 546133) has the molecular formula C8H19P and a molecular weight of 146.21 g/mol. Its IUPAC name is tert-butyl-methyl-propan-2-ylphosphane.

Molecular Properties

Compound Nametert-butyl-methyl-propan-2-ylphosphane
PubChem CID546133
Molecular FormulaC8H19P
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Nametert-butyl-methyl-propan-2-ylphosphane
SMILESCC(C)P(C)C(C)(C)C
InChIInChI=1S/C8H19P/c1-7(2)9(6)8(3,4)5/h7H,1-6H3
InChIKeyZETSTNUFDFQHMN-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 53.31
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-methyl-propan-2-ylphosphane?
The IUPAC name of tert-butyl-methyl-propan-2-ylphosphane (CID 546133) is tert-butyl-methyl-propan-2-ylphosphane.
What is the SMILES notation for tert-butyl-methyl-propan-2-ylphosphane?
The canonical SMILES for tert-butyl-methyl-propan-2-ylphosphane is CC(C)P(C)C(C)(C)C.
What is the InChIKey of tert-butyl-methyl-propan-2-ylphosphane?
The InChIKey is ZETSTNUFDFQHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19P/c1-7(2)9(6)8(3,4)5/h7H,1-6H3.
What are the key properties of tert-butyl-methyl-propan-2-ylphosphane?
tert-butyl-methyl-propan-2-ylphosphane has a molecular weight of 146.21 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methyl-propan-2-ylphosphane is sourced from PubChem (CID 546133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).