CID 139249020

C13H22LiP- — CID 139249020

IUPAC—
SMILESCC(C)(C)P(c1ccc[cH-]1)C(C)(C)C.[Li]
InChIInChI=1S/C13H22P.Li/c1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h7-10H,1-6H3;/q-1;
InChIKeyHLXNDISVCZDXHG-UHFFFAOYSA-N
MW216.23 g/mol
LogP3.73
Rot. Bonds1

About CID 139249020

CID 139249020 (PubChem CID 139249020) has the molecular formula C13H22LiP- and a molecular weight of 216.23 g/mol.

Molecular Properties

Compound NameCID 139249020
PubChem CID139249020
Molecular FormulaC13H22LiP-
Molecular Weight216.23 g/mol
Exact Mass216.16
IUPAC Name—
SMILESCC(C)(C)P(c1ccc[cH-]1)C(C)(C)C.[Li]
InChIInChI=1S/C13H22P.Li/c1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h7-10H,1-6H3;/q-1;
InChIKeyHLXNDISVCZDXHG-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 139249020 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 CID 139249020?
The IUPAC name of CID 139249020 (CID 139249020) is not available.
What is the SMILES notation for CID 139249020?
The canonical SMILES for CID 139249020 is CC(C)(C)P(c1ccc[cH-]1)C(C)(C)C.[Li].
What is the InChIKey of CID 139249020?
The InChIKey is HLXNDISVCZDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22P.Li/c1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h7-10H,1-6H3;/q-1;.
What are the key properties of CID 139249020?
CID 139249020 has a molecular weight of 216.23 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139249020 is sourced from PubChem (CID 139249020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).