CID 159303367

C20H33Cl2SiTi — CID 159303367

IUPAC—
SMILESCC(C)(C)c1ccc[cH-]1.CC(C)(C)c1ccc[cH-]1.C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C9H13.C2H7Si.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4-7H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJFQURCGWWSXSKA-UHFFFAOYSA-L
MW420.34 g/mol
LogP-0.07
Rot. Bonds

About CID 159303367

CID 159303367 (PubChem CID 159303367) has the molecular formula C20H33Cl2SiTi and a molecular weight of 420.34 g/mol.

Molecular Properties

Compound NameCID 159303367
PubChem CID159303367
Molecular FormulaC20H33Cl2SiTi
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name—
SMILESCC(C)(C)c1ccc[cH-]1.CC(C)(C)c1ccc[cH-]1.C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C9H13.C2H7Si.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4-7H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJFQURCGWWSXSKA-UHFFFAOYSA-L
XLogP-0.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 5-0.07
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 159303367?
The IUPAC name of CID 159303367 (CID 159303367) is not available.
What is the SMILES notation for CID 159303367?
The canonical SMILES for CID 159303367 is CC(C)(C)c1ccc[cH-]1.CC(C)(C)c1ccc[cH-]1.C[SiH]C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 159303367?
The InChIKey is JFQURCGWWSXSKA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.C2H7Si.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4-7H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 159303367?
CID 159303367 has a molecular weight of 420.34 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159303367 is sourced from PubChem (CID 159303367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).