ditert-butyl(methyl)phosphanium chloride

C9H22ClP — CID 139073045

IUPACditert-butyl(methyl)phosphanium chloride
SMILESC[PH+](C(C)(C)C)C(C)(C)C.[Cl-]
InChIInChI=1S/C9H21P.ClH/c1-8(2,3)10(7)9(4,5)6;/h1-7H3;1H
InChIKeyTXEBXRMKQNWXAG-UHFFFAOYSA-N
MW196.70 g/mol
LogP0.43
Rot. Bonds

About ditert-butyl(methyl)phosphanium chloride

ditert-butyl(methyl)phosphanium chloride (PubChem CID 139073045) has the molecular formula C9H22ClP and a molecular weight of 196.70 g/mol. Its IUPAC name is ditert-butyl(methyl)phosphanium chloride.

Molecular Properties

Compound Nameditert-butyl(methyl)phosphanium chloride
PubChem CID139073045
Molecular FormulaC9H22ClP
Molecular Weight196.70 g/mol
Exact Mass196.11
IUPAC Nameditert-butyl(methyl)phosphanium chloride
SMILESC[PH+](C(C)(C)C)C(C)(C)C.[Cl-]
InChIInChI=1S/C9H21P.ClH/c1-8(2,3)10(7)9(4,5)6;/h1-7H3;1H
InChIKeyTXEBXRMKQNWXAG-UHFFFAOYSA-N
XLogP0.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 50.43
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 ditert-butyl(methyl)phosphanium chloride?
The IUPAC name of ditert-butyl(methyl)phosphanium chloride (CID 139073045) is ditert-butyl(methyl)phosphanium chloride.
What is the SMILES notation for ditert-butyl(methyl)phosphanium chloride?
The canonical SMILES for ditert-butyl(methyl)phosphanium chloride is C[PH+](C(C)(C)C)C(C)(C)C.[Cl-].
What is the InChIKey of ditert-butyl(methyl)phosphanium chloride?
The InChIKey is TXEBXRMKQNWXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P.ClH/c1-8(2,3)10(7)9(4,5)6;/h1-7H3;1H.
What are the key properties of ditert-butyl(methyl)phosphanium chloride?
ditert-butyl(methyl)phosphanium chloride has a molecular weight of 196.70 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(methyl)phosphanium chloride is sourced from PubChem (CID 139073045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).