CID 159030266
C14H26NSiTi — CID 159030266
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC—
SMILESC[SiH]C.Cc1c[c-](C)c(C)c1C.[NH-]C1CC1.[Ti+2]
InChIInChI=1S/C9H13.C3H6N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;4-3-1-2-3;1-3-2;/h5H,1-4H3;3-4H,1-2H2;3H,1-2H3;/q2*-1;;+2
InChIKeyXZCHQBKKRXOJFW-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.36
Rot. Bonds
About CID 159030266
CID 159030266 (PubChem CID 159030266) has the molecular formula C14H26NSiTi and a molecular weight of 284.32 g/mol.
Molecular Properties
| Compound Name | CID 159030266 |
|---|---|
| PubChem CID | 159030266 |
| Molecular Formula | C14H26NSiTi |
| Molecular Weight | 284.32 g/mol |
| Exact Mass | 284.13 |
| IUPAC Name | — |
| SMILES | C[SiH]C.Cc1c[c-](C)c(C)c1C.[NH-]C1CC1.[Ti+2] |
| InChI | InChI=1S/C9H13.C3H6N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;4-3-1-2-3;1-3-2;/h5H,1-4H3;3-4H,1-2H2;3H,1-2H3;/q2*-1;;+2 |
| InChIKey | XZCHQBKKRXOJFW-UHFFFAOYSA-N |
| XLogP | 4.36 |
| TPSA | 23.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 284.32 |
| LogP ≤ 5 | 4.36 |
| 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': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of CID 159030266?
The IUPAC name of CID 159030266 (CID 159030266) is not available.
What is the SMILES notation for CID 159030266?
The canonical SMILES for CID 159030266 is C[SiH]C.Cc1c[c-](C)c(C)c1C.[NH-]C1CC1.[Ti+2].
What is the InChIKey of CID 159030266?
The InChIKey is XZCHQBKKRXOJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C3H6N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;4-3-1-2-3;1-3-2;/h5H,1-4H3;3-4H,1-2H2;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 159030266?
CID 159030266 has a molecular weight of 284.32 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159030266 is sourced from PubChem (CID 159030266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159030266 — identifiers, structure, computed properties (public domain)
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