tert-butylphosphane;hydrochloride

C4H12ClP — CID 71334552

IUPACtert-butylphosphane;hydrochloride
SMILESCC(C)(C)P.Cl
InChIInChI=1S/C4H11P.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKeyJFVASGNYLSJKCR-UHFFFAOYSA-N
MW126.57 g/mol
LogP2.08
Rot. Bonds

About tert-butylphosphane;hydrochloride

tert-butylphosphane;hydrochloride (PubChem CID 71334552) has the molecular formula C4H12ClP and a molecular weight of 126.57 g/mol. Its IUPAC name is tert-butylphosphane;hydrochloride.

Molecular Properties

Compound Nametert-butylphosphane;hydrochloride
PubChem CID71334552
Molecular FormulaC4H12ClP
Molecular Weight126.57 g/mol
Exact Mass126.04
IUPAC Nametert-butylphosphane;hydrochloride
SMILESCC(C)(C)P.Cl
InChIInChI=1S/C4H11P.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKeyJFVASGNYLSJKCR-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.57
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butylphosphane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butylphosphine
CID 123165
tert-Butyldichlorophosphine
CID 117690
Methyl tert-butylchlorophosphine
CID 12501800
Lithium tert-butylphosphanide
CID 12825337
tert-Butyl(methyl)phosphane
CID 16687903
Chloro-tert-butylphosphine
CID 16688342
Butylchlorophosphine
CID 21641449
t-Butyl phosphonium bromide
CID 89315015
CID 134886012
CID 134886012
Butylphosphanium chloride
CID 18003114
Butane;tert-butyl(chloro)phosphane
CID 19690202
Tert-butylphosphanium iodide
CID 19959752

Frequently Asked Questions

What is the IUPAC name of tert-butylphosphane;hydrochloride?
The IUPAC name of tert-butylphosphane;hydrochloride (CID 71334552) is tert-butylphosphane;hydrochloride.
What is the SMILES notation for tert-butylphosphane;hydrochloride?
The canonical SMILES for tert-butylphosphane;hydrochloride is CC(C)(C)P.Cl.
What is the InChIKey of tert-butylphosphane;hydrochloride?
The InChIKey is JFVASGNYLSJKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H.
What are the key properties of tert-butylphosphane;hydrochloride?
tert-butylphosphane;hydrochloride has a molecular weight of 126.57 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylphosphane;hydrochloride is sourced from PubChem (CID 71334552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).