dichloro(diethyl)phosphanium

C4H10Cl2P+ — CID 23415209

IUPACdichloro(diethyl)phosphanium
SMILESCC[P+](Cl)(Cl)CC
InChIInChI=1S/C4H10Cl2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3/q+1
InChIKeyKDTOMIXHDFVEGS-UHFFFAOYSA-N
MW160.00 g/mol
LogP3.35
Rot. Bonds2

About dichloro(diethyl)phosphanium

dichloro(diethyl)phosphanium (PubChem CID 23415209) has the molecular formula C4H10Cl2P+ and a molecular weight of 160.00 g/mol. Its IUPAC name is dichloro(diethyl)phosphanium.

Molecular Properties

Compound Namedichloro(diethyl)phosphanium
PubChem CID23415209
Molecular FormulaC4H10Cl2P+
Molecular Weight160.00 g/mol
Exact Mass158.99
IUPAC Namedichloro(diethyl)phosphanium
SMILESCC[P+](Cl)(Cl)CC
InChIInChI=1S/C4H10Cl2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3/q+1
InChIKeyKDTOMIXHDFVEGS-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.00
LogP ≤ 53.35
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 dichloro(diethyl)phosphanium?
The IUPAC name of dichloro(diethyl)phosphanium (CID 23415209) is dichloro(diethyl)phosphanium.
What is the SMILES notation for dichloro(diethyl)phosphanium?
The canonical SMILES for dichloro(diethyl)phosphanium is CC[P+](Cl)(Cl)CC.
What is the InChIKey of dichloro(diethyl)phosphanium?
The InChIKey is KDTOMIXHDFVEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3/q+1.
What are the key properties of dichloro(diethyl)phosphanium?
dichloro(diethyl)phosphanium has a molecular weight of 160.00 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(diethyl)phosphanium is sourced from PubChem (CID 23415209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).