phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride

C17H23Cl3SiTi — CID 173383628

IUPACphenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCC1=C(C(C)C)[C-]=C([SiH2]c2ccccc2)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C17H23Si.3ClH.Ti/c1-4-8-14-11-16(12-17(14)13(2)3)18-15-9-6-5-7-10-15;;;;/h5-7,9-10,13H,4,8,11,18H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyQODMZFJXYQIVDD-UHFFFAOYSA-K
MW409.68 g/mol
LogP-5.67
Rot. Bonds5

About phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride

phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 173383628) has the molecular formula C17H23Cl3SiTi and a molecular weight of 409.68 g/mol. Its IUPAC name is phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Namephenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID173383628
Molecular FormulaC17H23Cl3SiTi
Molecular Weight409.68 g/mol
Exact Mass408.01
IUPAC Namephenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCC1=C(C(C)C)[C-]=C([SiH2]c2ccccc2)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C17H23Si.3ClH.Ti/c1-4-8-14-11-16(12-17(14)13(2)3)18-15-9-6-5-7-10-15;;;;/h5-7,9-10,13H,4,8,11,18H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyQODMZFJXYQIVDD-UHFFFAOYSA-K
XLogP-5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.68
LogP ≤ 5-5.67
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

Dichloro(1,1-dimethylethyl)phenylsilane
CID 87353
Tert-butylphenylsilane
CID 5142460
1,3,4-Trimethyl-1-phenyl-2,5-dihydro-1H-silole
CID 12777523
Silane, dimethyl(3-methyl-2-butenyl)phenyl-
CID 10584350
dimethyl-[(E)-3-methylpent-3-en-2-yl]-phenylsilane
CID 10443398
dimethyl-[(E)-2-methylhex-1-enyl]-phenylsilane
CID 12576173
[(2E)-2,3-dimethylhepta-2,6-dienyl]-dimethyl-phenylsilane
CID 12992256
Dimethyl((e)-2-methylhex-4-en-3-yl)(phenyl)silane
CID 13444202
dimethyl-[(Z)-2-methylhex-4-en-3-yl]-phenylsilane
CID 13444203
dimethyl-[(E)-5-methylhex-3-en-2-yl]-phenylsilane
CID 13444205
dimethyl-[(Z)-5-methylhex-3-en-2-yl]-phenylsilane
CID 13444206
Dimethyl(4-methylpent-3-en-2-yl)phenylsilane
CID 13600975

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride (CID 173383628) is phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride is CCCC1=C(C(C)C)[C-]=C([SiH2]c2ccccc2)C1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is QODMZFJXYQIVDD-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H23Si.3ClH.Ti/c1-4-8-14-11-16(12-17(14)13(2)3)18-15-9-6-5-7-10-15;;;;/h5-7,9-10,13H,4,8,11,18H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride?
phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 409.68 g/mol, XLogP of -5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173383628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).