ditert-butyl-chloro-methylphosphanium

C9H21ClP+ — CID 15301682

IUPACditert-butyl-chloro-methylphosphanium
SMILESCC(C)(C)[P+](C)(Cl)C(C)(C)C
InChIInChI=1S/C9H21ClP/c1-8(2,3)11(7,10)9(4,5)6/h1-7H3/q+1
InChIKeyBRONOUMMAVIXMF-UHFFFAOYSA-N
MW195.69 g/mol
LogP4.38
Rot. Bonds

About ditert-butyl-chloro-methylphosphanium

ditert-butyl-chloro-methylphosphanium (PubChem CID 15301682) has the molecular formula C9H21ClP+ and a molecular weight of 195.69 g/mol. Its IUPAC name is ditert-butyl-chloro-methylphosphanium.

Molecular Properties

Compound Nameditert-butyl-chloro-methylphosphanium
PubChem CID15301682
Molecular FormulaC9H21ClP+
Molecular Weight195.69 g/mol
Exact Mass195.11
IUPAC Nameditert-butyl-chloro-methylphosphanium
SMILESCC(C)(C)[P+](C)(Cl)C(C)(C)C
InChIInChI=1S/C9H21ClP/c1-8(2,3)11(7,10)9(4,5)6/h1-7H3/q+1
InChIKeyBRONOUMMAVIXMF-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 54.38
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-chloro-methylphosphanium?
The IUPAC name of ditert-butyl-chloro-methylphosphanium (CID 15301682) is ditert-butyl-chloro-methylphosphanium.
What is the SMILES notation for ditert-butyl-chloro-methylphosphanium?
The canonical SMILES for ditert-butyl-chloro-methylphosphanium is CC(C)(C)[P+](C)(Cl)C(C)(C)C.
What is the InChIKey of ditert-butyl-chloro-methylphosphanium?
The InChIKey is BRONOUMMAVIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClP/c1-8(2,3)11(7,10)9(4,5)6/h1-7H3/q+1.
What are the key properties of ditert-butyl-chloro-methylphosphanium?
ditert-butyl-chloro-methylphosphanium has a molecular weight of 195.69 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-chloro-methylphosphanium is sourced from PubChem (CID 15301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).