methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride

C35H53Cl3SiTi — CID 173384739

IUPACmethyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(c1ccccc1)c1c(C)[cH-]c2ccccc12.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C35H53Si.3ClH.Ti/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-36(3,33-26-20-19-21-27-33)35-31(2)30-32-25-22-23-28-34(32)35;;;;/h19-23,25-28,30H,4-18,24,29H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyQNSDODNPFMWBLG-UHFFFAOYSA-K
MW656.12 g/mol
LogP1.33
Rot. Bonds19

About methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride

methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride (PubChem CID 173384739) has the molecular formula C35H53Cl3SiTi and a molecular weight of 656.12 g/mol. Its IUPAC name is methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Namemethyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride
PubChem CID173384739
Molecular FormulaC35H53Cl3SiTi
Molecular Weight656.12 g/mol
Exact Mass654.25
IUPAC Namemethyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(c1ccccc1)c1c(C)[cH-]c2ccccc12.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C35H53Si.3ClH.Ti/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-36(3,33-26-20-19-21-27-33)35-31(2)30-32-25-22-23-28-34(32)35;;;;/h19-23,25-28,30H,4-18,24,29H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyQNSDODNPFMWBLG-UHFFFAOYSA-K
XLogP1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.12
LogP ≤ 51.33
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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Related Compounds

decyl-methyl-diphenylsilane
CID 15259590
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
chloro-methyl-octyl-phenylsilane
CID 66989770
dichloro-heptyl-phenylsilane
CID 101161411
icosyl-dimethyl-phenylsilane
CID 91054385
dihexyl-methyl-phenylsilane
CID 71342172
heptadecyl(triphenyl)silane
CID 4520075
iodo-methyl-octyl-phenylsilane
CID 154486879
chloro-hexyl-iodo-phenylsilane
CID 154486835
CID 173472771
CID 173472771
bis(2-ethyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;zirconium(4+)
CID 173019699
butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane
CID 173384313

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride?
The IUPAC name of methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride (CID 173384739) is methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride.
What is the SMILES notation for methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride?
The canonical SMILES for methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride is CCCCCCCCCCCCCCCCCC[Si](C)(c1ccccc1)c1c(C)[cH-]c2ccccc12.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride?
The InChIKey is QNSDODNPFMWBLG-UHFFFAOYSA-K. The full InChI is InChI=1S/C35H53Si.3ClH.Ti/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-36(3,33-26-20-19-21-27-33)35-31(2)30-32-25-22-23-28-34(32)35;;;;/h19-23,25-28,30H,4-18,24,29H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride?
methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride has a molecular weight of 656.12 g/mol, XLogP of 1.33, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-3H-inden-3-id-1-yl)-octadecyl-phenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173384739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).