1,1-dichlorophospholan-1-ium

C4H8Cl2P+ — CID 87698564

IUPAC1,1-dichlorophospholan-1-ium
SMILESCl[P+]1(Cl)CCCC1
InChIInChI=1S/C4H8Cl2P/c5-7(6)3-1-2-4-7/h1-4H2/q+1
InChIKeyOTEOPUWKKZMCRS-UHFFFAOYSA-N
MW157.99 g/mol
LogP3.11
Rot. Bonds

About 1,1-dichlorophospholan-1-ium

1,1-dichlorophospholan-1-ium (PubChem CID 87698564) has the molecular formula C4H8Cl2P+ and a molecular weight of 157.99 g/mol. Its IUPAC name is 1,1-dichlorophospholan-1-ium.

Molecular Properties

Compound Name1,1-dichlorophospholan-1-ium
PubChem CID87698564
Molecular FormulaC4H8Cl2P+
Molecular Weight157.99 g/mol
Exact Mass156.97
IUPAC Name1,1-dichlorophospholan-1-ium
SMILESCl[P+]1(Cl)CCCC1
InChIInChI=1S/C4H8Cl2P/c5-7(6)3-1-2-4-7/h1-4H2/q+1
InChIKeyOTEOPUWKKZMCRS-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.99
LogP ≤ 53.11
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 1,1-dichlorophospholan-1-ium?
The IUPAC name of 1,1-dichlorophospholan-1-ium (CID 87698564) is 1,1-dichlorophospholan-1-ium.
What is the SMILES notation for 1,1-dichlorophospholan-1-ium?
The canonical SMILES for 1,1-dichlorophospholan-1-ium is Cl[P+]1(Cl)CCCC1.
What is the InChIKey of 1,1-dichlorophospholan-1-ium?
The InChIKey is OTEOPUWKKZMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2P/c5-7(6)3-1-2-4-7/h1-4H2/q+1.
What are the key properties of 1,1-dichlorophospholan-1-ium?
1,1-dichlorophospholan-1-ium has a molecular weight of 157.99 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorophospholan-1-ium is sourced from PubChem (CID 87698564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).