(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride

C23H35Cl3SiTi — CID 173384541

IUPAC(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
SMILESCCCCCC1=C(CC)[C-]=C([SiH2]c2c(C)c(C)c(C)c(C)c2C)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H35Si.3ClH.Ti/c1-8-10-11-12-21-14-22(13-20(21)9-2)24-23-18(6)16(4)15(3)17(5)19(23)7;;;;/h8-12,14,24H2,1-7H3;3*1H;/q-1;;;;+4/p-3
InChIKeySNELQYLIYIVWMH-UHFFFAOYSA-K
MW493.85 g/mol
LogP-3.59
Rot. Bonds7

About (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride

(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride (PubChem CID 173384541) has the molecular formula C23H35Cl3SiTi and a molecular weight of 493.85 g/mol. Its IUPAC name is (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
PubChem CID173384541
Molecular FormulaC23H35Cl3SiTi
Molecular Weight493.85 g/mol
Exact Mass492.11
IUPAC Name(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
SMILESCCCCCC1=C(CC)[C-]=C([SiH2]c2c(C)c(C)c(C)c(C)c2C)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H35Si.3ClH.Ti/c1-8-10-11-12-21-14-22(13-20(21)9-2)24-23-18(6)16(4)15(3)17(5)19(23)7;;;;/h8-12,14,24H2,1-7H3;3*1H;/q-1;;;;+4/p-3
InChIKeySNELQYLIYIVWMH-UHFFFAOYSA-K
XLogP-3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.85
LogP ≤ 5-3.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
The IUPAC name of (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride (CID 173384541) is (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride.
What is the SMILES notation for (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
The canonical SMILES for (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride is CCCCCC1=C(CC)[C-]=C([SiH2]c2c(C)c(C)c(C)c(C)c2C)C1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
The InChIKey is SNELQYLIYIVWMH-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H35Si.3ClH.Ti/c1-8-10-11-12-21-14-22(13-20(21)9-2)24-23-18(6)16(4)15(3)17(5)19(23)7;;;;/h8-12,14,24H2,1-7H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride has a molecular weight of 493.85 g/mol, XLogP of -3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173384541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).