CID 173474516

C16H22Cl3SiTi — CID 173474516

IUPAC—
SMILESCCCC1=[C-]C(CC)=CC1.[Cl-].[Cl-].[Cl-].[SiH2]c1ccccc1.[Ti+4]
InChIInChI=1S/C10H15.C6H7Si.3ClH.Ti/c1-3-5-10-7-6-9(4-2)8-10;7-6-4-2-1-3-5-6;;;;/h6H,3-5,7H2,1-2H3;1-5H,7H2;3*1H;/q-1;;;;;+4/p-3
InChIKeyWLGYSMJCAQAURV-UHFFFAOYSA-K
MW396.66 g/mol
LogP-5.79
Rot. Bonds3

About CID 173474516

CID 173474516 (PubChem CID 173474516) has the molecular formula C16H22Cl3SiTi and a molecular weight of 396.66 g/mol.

Molecular Properties

Compound NameCID 173474516
PubChem CID173474516
Molecular FormulaC16H22Cl3SiTi
Molecular Weight396.66 g/mol
Exact Mass395.00
IUPAC Name—
SMILESCCCC1=[C-]C(CC)=CC1.[Cl-].[Cl-].[Cl-].[SiH2]c1ccccc1.[Ti+4]
InChIInChI=1S/C10H15.C6H7Si.3ClH.Ti/c1-3-5-10-7-6-9(4-2)8-10;7-6-4-2-1-3-5-6;;;;/h6H,3-5,7H2,1-2H3;1-5H,7H2;3*1H;/q-1;;;;;+4/p-3
InChIKeyWLGYSMJCAQAURV-UHFFFAOYSA-K
XLogP-5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.66
LogP ≤ 5-5.79
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 91154303
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CID 123533420
phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride
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potassium;hydride;propylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 173474516?
The IUPAC name of CID 173474516 (CID 173474516) is not available.
What is the SMILES notation for CID 173474516?
The canonical SMILES for CID 173474516 is CCCC1=[C-]C(CC)=CC1.[Cl-].[Cl-].[Cl-].[SiH2]c1ccccc1.[Ti+4].
What is the InChIKey of CID 173474516?
The InChIKey is WLGYSMJCAQAURV-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15.C6H7Si.3ClH.Ti/c1-3-5-10-7-6-9(4-2)8-10;7-6-4-2-1-3-5-6;;;;/h6H,3-5,7H2,1-2H3;1-5H,7H2;3*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173474516?
CID 173474516 has a molecular weight of 396.66 g/mol, XLogP of -5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173474516 is sourced from PubChem (CID 173474516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).