tert-butyl-methyl-methylidenephosphanium

C6H14P+ — CID 20745003

IUPACtert-butyl-methyl-methylidenephosphanium
SMILESC=[P+](C)C(C)(C)C
InChIInChI=1S/C6H14P/c1-6(2,3)7(4)5/h4H2,1-3,5H3/q+1
InChIKeyLCLZWQBNXCIVSK-UHFFFAOYSA-N
MW117.15 g/mol
LogP2.33
Rot. Bonds

About tert-butyl-methyl-methylidenephosphanium

tert-butyl-methyl-methylidenephosphanium (PubChem CID 20745003) has the molecular formula C6H14P+ and a molecular weight of 117.15 g/mol. Its IUPAC name is tert-butyl-methyl-methylidenephosphanium.

Molecular Properties

Compound Nametert-butyl-methyl-methylidenephosphanium
PubChem CID20745003
Molecular FormulaC6H14P+
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nametert-butyl-methyl-methylidenephosphanium
SMILESC=[P+](C)C(C)(C)C
InChIInChI=1S/C6H14P/c1-6(2,3)7(4)5/h4H2,1-3,5H3/q+1
InChIKeyLCLZWQBNXCIVSK-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-methyl-methylidenephosphanium 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-methyl-methylidenephosphanium?
The IUPAC name of tert-butyl-methyl-methylidenephosphanium (CID 20745003) is tert-butyl-methyl-methylidenephosphanium.
What is the SMILES notation for tert-butyl-methyl-methylidenephosphanium?
The canonical SMILES for tert-butyl-methyl-methylidenephosphanium is C=[P+](C)C(C)(C)C.
What is the InChIKey of tert-butyl-methyl-methylidenephosphanium?
The InChIKey is LCLZWQBNXCIVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14P/c1-6(2,3)7(4)5/h4H2,1-3,5H3/q+1.
What are the key properties of tert-butyl-methyl-methylidenephosphanium?
tert-butyl-methyl-methylidenephosphanium has a molecular weight of 117.15 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methyl-methylidenephosphanium is sourced from PubChem (CID 20745003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).