CID 173302274

C7H12Cl2SiTi- — CID 173302274

IUPAC—
SMILESC[SiH]C.Cl[Ti+].[C-]1=CC=CC1.[Cl-]
InChIInChI=1S/C5H5.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;3H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyVBIBJOMJTBPQLE-UHFFFAOYSA-L
MW243.03 g/mol
LogP-0.48
Rot. Bonds

About CID 173302274

CID 173302274 (PubChem CID 173302274) has the molecular formula C7H12Cl2SiTi- and a molecular weight of 243.03 g/mol.

Molecular Properties

Compound NameCID 173302274
PubChem CID173302274
Molecular FormulaC7H12Cl2SiTi-
Molecular Weight243.03 g/mol
Exact Mass241.96
IUPAC Name—
SMILESC[SiH]C.Cl[Ti+].[C-]1=CC=CC1.[Cl-]
InChIInChI=1S/C5H5.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;3H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyVBIBJOMJTBPQLE-UHFFFAOYSA-L
XLogP-0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 5-0.48
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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Related Compounds

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CID 173229489
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CID 87905661
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CID 173025504
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
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CID 18362255
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strontium bis(cyclopenta-1,3-diene)
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Frequently Asked Questions

What is the IUPAC name of CID 173302274?
The IUPAC name of CID 173302274 (CID 173302274) is not available.
What is the SMILES notation for CID 173302274?
The canonical SMILES for CID 173302274 is C[SiH]C.Cl[Ti+].[C-]1=CC=CC1.[Cl-].
What is the InChIKey of CID 173302274?
The InChIKey is VBIBJOMJTBPQLE-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;3H,1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of CID 173302274?
CID 173302274 has a molecular weight of 243.03 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173302274 is sourced from PubChem (CID 173302274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).