About CID 134902736
CID 134902736 (PubChem CID 134902736) has the molecular formula C20H20Ti
and a molecular weight of 308.25 g/mol.
Molecular Properties
| Compound Name | CID 134902736 |
|---|
| PubChem CID | 134902736 |
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| Molecular Formula | C20H20Ti |
|---|
| Molecular Weight | 308.25 g/mol |
|---|
| Exact Mass | 308.10 |
|---|
| IUPAC Name | — |
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| SMILES | [CH3-].[CH3-].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[Ti+2] |
|---|
| InChI | InChI=1S/2C9H7.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q;;2*-1;+2 |
|---|
| InChIKey | AQQCTCQODKMIMF-UHFFFAOYSA-N |
|---|
| XLogP | 4.67 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 21 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 308.25 |
| LogP ≤ 5 | 4.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 134902736?
The IUPAC name of CID 134902736 (CID 134902736) is not available.
What is the SMILES notation for CID 134902736?
The canonical SMILES for CID 134902736 is [CH3-].[CH3-].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[Ti+2].
What is the InChIKey of CID 134902736?
The InChIKey is AQQCTCQODKMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q;;2*-1;+2.
What are the key properties of CID 134902736?
CID 134902736 has a molecular weight of 308.25 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902736 is sourced from PubChem (CID 134902736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).