(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride

C20H23Cl3SiTi — CID 158076869

IUPAC(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCC1([SiH2][c-]2cccc2-c2ccccc2)C=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H23Si.3ClH.Ti/c1-2-14-20(15-7-4-8-16-20)21-19-13-9-12-18(19)17-10-5-3-6-11-17;;;;/h3-13,15H,2,14,16,21H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyTYPFPSAWETVWMJ-UHFFFAOYSA-K
MW445.72 g/mol
LogP-4.65
Rot. Bonds5

About (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride

(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 158076869) has the molecular formula C20H23Cl3SiTi and a molecular weight of 445.72 g/mol. Its IUPAC name is (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Name(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID158076869
Molecular FormulaC20H23Cl3SiTi
Molecular Weight445.72 g/mol
Exact Mass444.01
IUPAC Name(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCC1([SiH2][c-]2cccc2-c2ccccc2)C=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H23Si.3ClH.Ti/c1-2-14-20(15-7-4-8-16-20)21-19-13-9-12-18(19)17-10-5-3-6-11-17;;;;/h3-13,15H,2,14,16,21H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyTYPFPSAWETVWMJ-UHFFFAOYSA-K
XLogP-4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.72
LogP ≤ 5-4.65
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 (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride (CID 158076869) is (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride is CCCC1([SiH2][c-]2cccc2-c2ccccc2)C=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is TYPFPSAWETVWMJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H23Si.3ClH.Ti/c1-2-14-20(15-7-4-8-16-20)21-19-13-9-12-18(19)17-10-5-3-6-11-17;;;;/h3-13,15H,2,14,16,21H2,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 445.72 g/mol, XLogP of -4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 158076869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).