tert-butyl-chloro-methylphosphane

C5H12ClP — CID 12501800

IUPACtert-butyl-chloro-methylphosphane
SMILESCP(Cl)C(C)(C)C
InChIInChI=1S/C5H12ClP/c1-5(2,3)7(4)6/h1-4H3
InChIKeyYNWFXQGJLFOCOJ-UHFFFAOYSA-N
MW138.58 g/mol
LogP3.05
Rot. Bonds

About tert-butyl-chloro-methylphosphane

tert-butyl-chloro-methylphosphane (PubChem CID 12501800) has the molecular formula C5H12ClP and a molecular weight of 138.58 g/mol. Its IUPAC name is tert-butyl-chloro-methylphosphane.

Molecular Properties

Compound Nametert-butyl-chloro-methylphosphane
PubChem CID12501800
Molecular FormulaC5H12ClP
Molecular Weight138.58 g/mol
Exact Mass138.04
IUPAC Nametert-butyl-chloro-methylphosphane
SMILESCP(Cl)C(C)(C)C
InChIInChI=1S/C5H12ClP/c1-5(2,3)7(4)6/h1-4H3
InChIKeyYNWFXQGJLFOCOJ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.58
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-chloro-methylphosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-methylphosphane?
The IUPAC name of tert-butyl-chloro-methylphosphane (CID 12501800) is tert-butyl-chloro-methylphosphane.
What is the SMILES notation for tert-butyl-chloro-methylphosphane?
The canonical SMILES for tert-butyl-chloro-methylphosphane is CP(Cl)C(C)(C)C.
What is the InChIKey of tert-butyl-chloro-methylphosphane?
The InChIKey is YNWFXQGJLFOCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClP/c1-5(2,3)7(4)6/h1-4H3.
What are the key properties of tert-butyl-chloro-methylphosphane?
tert-butyl-chloro-methylphosphane has a molecular weight of 138.58 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-methylphosphane is sourced from PubChem (CID 12501800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).