CID 173474651

C25H35SiTi — CID 173474651

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C13H13Si.C9H13.3CH3.Ti/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-6-5-7(2)9(4)8(6)3;;;;/h2-11H,1H3;6H,1-4H3;3*1H3;/q;4*-1;+4
InChIKeyUHRDGDZWIPDYSR-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.00
Rot. Bonds2

About CID 173474651

CID 173474651 (PubChem CID 173474651) has the molecular formula C25H35SiTi and a molecular weight of 411.51 g/mol.

Molecular Properties

Compound NameCID 173474651
PubChem CID173474651
Molecular FormulaC25H35SiTi
Molecular Weight411.51 g/mol
Exact Mass411.20
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C13H13Si.C9H13.3CH3.Ti/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-6-5-7(2)9(4)8(6)3;;;;/h2-11H,1H3;6H,1-4H3;3*1H3;/q;4*-1;+4
InChIKeyUHRDGDZWIPDYSR-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173474651?
The IUPAC name of CID 173474651 (CID 173474651) is not available.
What is the SMILES notation for CID 173474651?
The canonical SMILES for CID 173474651 is CC1=[C-]C(C)C(C)=C1C.C[Si](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of CID 173474651?
The InChIKey is UHRDGDZWIPDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Si.C9H13.3CH3.Ti/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-6-5-7(2)9(4)8(6)3;;;;/h2-11H,1H3;6H,1-4H3;3*1H3;/q;4*-1;+4.
What are the key properties of CID 173474651?
CID 173474651 has a molecular weight of 411.51 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173474651 is sourced from PubChem (CID 173474651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).