CID 159435544

C14H21Cl2SiTi-2 — CID 159435544

IUPAC—
SMILESC[SiH]C.Cc1cc[cH-]c1.Cc1cc[cH-]c1.Cl[Ti]Cl
InChIInChI=1S/2C6H7.C2H7Si.2ClH.Ti/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2-5H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGXWXLCLFJNIJGT-UHFFFAOYSA-L
MW336.18 g/mol
LogP5.32
Rot. Bonds

About CID 159435544

CID 159435544 (PubChem CID 159435544) has the molecular formula C14H21Cl2SiTi-2 and a molecular weight of 336.18 g/mol.

Molecular Properties

Compound NameCID 159435544
PubChem CID159435544
Molecular FormulaC14H21Cl2SiTi-2
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name—
SMILESC[SiH]C.Cc1cc[cH-]c1.Cc1cc[cH-]c1.Cl[Ti]Cl
InChIInChI=1S/2C6H7.C2H7Si.2ClH.Ti/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2-5H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGXWXLCLFJNIJGT-UHFFFAOYSA-L
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.18
LogP ≤ 55.32
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 159435544?
The IUPAC name of CID 159435544 (CID 159435544) is not available.
What is the SMILES notation for CID 159435544?
The canonical SMILES for CID 159435544 is C[SiH]C.Cc1cc[cH-]c1.Cc1cc[cH-]c1.Cl[Ti]Cl.
What is the InChIKey of CID 159435544?
The InChIKey is GXWXLCLFJNIJGT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.C2H7Si.2ClH.Ti/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2-5H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of CID 159435544?
CID 159435544 has a molecular weight of 336.18 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159435544 is sourced from PubChem (CID 159435544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).