About CID 134898713
CID 134898713 (PubChem CID 134898713) has the molecular formula C13H29P2V
and a molecular weight of 298.27 g/mol.
Molecular Properties
| Compound Name | CID 134898713 |
|---|
| PubChem CID | 134898713 |
|---|
| Molecular Formula | C13H29P2V |
|---|
| Molecular Weight | 298.27 g/mol |
|---|
| Exact Mass | 298.12 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CP(C)C.CP(C)C.[CH3-].[CH3-].[CH]1C=CC=C1.[V+2] |
|---|
| InChI | InChI=1S/C5H5.2C3H9P.2CH3.V/c1-2-4-5-3-1;2*1-4(2)3;;;/h1-5H;2*1-3H3;2*1H3;/q;;;2*-1;+2 |
|---|
| InChIKey | HGRDJJXYEHSQEJ-UHFFFAOYSA-N |
|---|
| XLogP | 4.93 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 16 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 298.27 |
| LogP ≤ 5 | 4.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Analyze CID 134898713 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 134898713?
The IUPAC name of CID 134898713 (CID 134898713) is not available.
What is the SMILES notation for CID 134898713?
The canonical SMILES for CID 134898713 is CP(C)C.CP(C)C.[CH3-].[CH3-].[CH]1C=CC=C1.[V+2].
What is the InChIKey of CID 134898713?
The InChIKey is HGRDJJXYEHSQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C3H9P.2CH3.V/c1-2-4-5-3-1;2*1-4(2)3;;;/h1-5H;2*1-3H3;2*1H3;/q;;;2*-1;+2.
What are the key properties of CID 134898713?
CID 134898713 has a molecular weight of 298.27 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898713 is sourced from PubChem (CID 134898713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).