tert-butyl(phenyl)phosphane

C10H15P — CID 4568796

IUPACtert-butyl(phenyl)phosphane
SMILESCC(C)(C)Pc1ccccc1
InChIInChI=1S/C10H15P/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyZSSMIQURWRIOCN-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.79
Rot. Bonds1

About tert-butyl(phenyl)phosphane

tert-butyl(phenyl)phosphane (PubChem CID 4568796) has the molecular formula C10H15P and a molecular weight of 166.20 g/mol. Its IUPAC name is tert-butyl(phenyl)phosphane.

Molecular Properties

Compound Nametert-butyl(phenyl)phosphane
PubChem CID4568796
Molecular FormulaC10H15P
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Nametert-butyl(phenyl)phosphane
SMILESCC(C)(C)Pc1ccccc1
InChIInChI=1S/C10H15P/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyZSSMIQURWRIOCN-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.79
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(phenyl)phosphane?
The IUPAC name of tert-butyl(phenyl)phosphane (CID 4568796) is tert-butyl(phenyl)phosphane.
What is the SMILES notation for tert-butyl(phenyl)phosphane?
The canonical SMILES for tert-butyl(phenyl)phosphane is CC(C)(C)Pc1ccccc1.
What is the InChIKey of tert-butyl(phenyl)phosphane?
The InChIKey is ZSSMIQURWRIOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15P/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of tert-butyl(phenyl)phosphane?
tert-butyl(phenyl)phosphane has a molecular weight of 166.20 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(phenyl)phosphane is sourced from PubChem (CID 4568796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).