CID 161257167

C12H20Na2P+ — CID 161257167

IUPAC—
SMILESCC=C[P+](C=CC)(C=CC)C=CC.[Na].[Na]
InChIInChI=1S/C12H20P.2Na/c1-5-9-13(10-6-2,11-7-3)12-8-4;;/h5-12H,1-4H3;;/q+1;;
InChIKeyUPLKSLOFSVGSKH-UHFFFAOYSA-N
MW241.25 g/mol
LogP4.38
Rot. Bonds4

About CID 161257167

CID 161257167 (PubChem CID 161257167) has the molecular formula C12H20Na2P+ and a molecular weight of 241.25 g/mol.

Molecular Properties

Compound NameCID 161257167
PubChem CID161257167
Molecular FormulaC12H20Na2P+
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name—
SMILESCC=C[P+](C=CC)(C=CC)C=CC.[Na].[Na]
InChIInChI=1S/C12H20P.2Na/c1-5-9-13(10-6-2,11-7-3)12-8-4;;/h5-12H,1-4H3;;/q+1;;
InChIKeyUPLKSLOFSVGSKH-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
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 CID 161257167?
The IUPAC name of CID 161257167 (CID 161257167) is not available.
What is the SMILES notation for CID 161257167?
The canonical SMILES for CID 161257167 is CC=C[P+](C=CC)(C=CC)C=CC.[Na].[Na].
What is the InChIKey of CID 161257167?
The InChIKey is UPLKSLOFSVGSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20P.2Na/c1-5-9-13(10-6-2,11-7-3)12-8-4;;/h5-12H,1-4H3;;/q+1;;.
What are the key properties of CID 161257167?
CID 161257167 has a molecular weight of 241.25 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161257167 is sourced from PubChem (CID 161257167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).