CID 173229489

C7H12Cl4SiTi- — CID 173229489

IUPAC—
SMILESC[SiH]C.Cl[Ti+3].[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C5H5.C2H7Si.4ClH.Ti/c1-2-4-5-3-1;1-3-2;;;;;/h1-3H,4H2;3H,1-2H3;4*1H;/q-1;;;;;;+4/p-4
InChIKeyBXOOUBHLHGBXDF-UHFFFAOYSA-J
MW313.94 g/mol
LogP-6.48
Rot. Bonds

About CID 173229489

CID 173229489 (PubChem CID 173229489) has the molecular formula C7H12Cl4SiTi- and a molecular weight of 313.94 g/mol.

Molecular Properties

Compound NameCID 173229489
PubChem CID173229489
Molecular FormulaC7H12Cl4SiTi-
Molecular Weight313.94 g/mol
Exact Mass311.89
IUPAC Name—
SMILESC[SiH]C.Cl[Ti+3].[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C5H5.C2H7Si.4ClH.Ti/c1-2-4-5-3-1;1-3-2;;;;;/h1-3H,4H2;3H,1-2H3;4*1H;/q-1;;;;;;+4/p-4
InChIKeyBXOOUBHLHGBXDF-UHFFFAOYSA-J
XLogP-6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.94
LogP ≤ 5-6.48
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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hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
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tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
CID 173187831
CID 173187831
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
cesium cyclopenta-1,3-diene
CID 18362255
bis(cyclopenta-1,3-diene);vanadium(2+)
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Frequently Asked Questions

What is the IUPAC name of CID 173229489?
The IUPAC name of CID 173229489 (CID 173229489) is not available.
What is the SMILES notation for CID 173229489?
The canonical SMILES for CID 173229489 is C[SiH]C.Cl[Ti+3].[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].
What is the InChIKey of CID 173229489?
The InChIKey is BXOOUBHLHGBXDF-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H5.C2H7Si.4ClH.Ti/c1-2-4-5-3-1;1-3-2;;;;;/h1-3H,4H2;3H,1-2H3;4*1H;/q-1;;;;;;+4/p-4.
What are the key properties of CID 173229489?
CID 173229489 has a molecular weight of 313.94 g/mol, XLogP of -6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173229489 is sourced from PubChem (CID 173229489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).