(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride

C29H41Cl3SiTi — CID 173384911

IUPAC(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2[C-]=Cc3ccccc32)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C29H41Si.3ClH.Ti/c1-5-7-9-11-15-24-21-25(16-12-10-8-6-2)23-27(22-24)30(3,4)29-20-19-26-17-13-14-18-28(26)29;;;;/h13-14,17-19,21-23,29H,5-12,15-16H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCSAHTKXWCCYYAW-UHFFFAOYSA-K
MW571.96 g/mol
LogP-0.99
Rot. Bonds12

About (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride

(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride (PubChem CID 173384911) has the molecular formula C29H41Cl3SiTi and a molecular weight of 571.96 g/mol. Its IUPAC name is (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride
PubChem CID173384911
Molecular FormulaC29H41Cl3SiTi
Molecular Weight571.96 g/mol
Exact Mass570.15
IUPAC Name(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2[C-]=Cc3ccccc32)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C29H41Si.3ClH.Ti/c1-5-7-9-11-15-24-21-25(16-12-10-8-6-2)23-27(22-24)30(3,4)29-20-19-26-17-13-14-18-28(26)29;;;;/h13-14,17-19,21-23,29H,5-12,15-16H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCSAHTKXWCCYYAW-UHFFFAOYSA-K
XLogP-0.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.96
LogP ≤ 5-0.99
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

(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
(3,5-dihexylphenyl)-(2,5-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane;titanium(4+);trichloride
CID 173384390
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 173383512
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564
1,3-di(tetradecyl)benzene
CID 91053224
1-benzyl-3,5-dioctylbenzene
CID 22920470
dodecylbenzene;pyridine
CID 174718010
(3,5-dihexylphenyl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-id-1-yl)silane;titanium(4+);trichloride
CID 173383480
lithium 1-butyl-1,2-dihydroinden-2-ide
CID 86706728
2-octylazulene
CID 101406191
titanium(4+);tris(3,5-dihexylphenyl)-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 161043758

Frequently Asked Questions

What is the IUPAC name of (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride?
The IUPAC name of (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride (CID 173384911) is (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride.
What is the SMILES notation for (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride?
The canonical SMILES for (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride is CCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2[C-]=Cc3ccccc32)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride?
The InChIKey is CSAHTKXWCCYYAW-UHFFFAOYSA-K. The full InChI is InChI=1S/C29H41Si.3ClH.Ti/c1-5-7-9-11-15-24-21-25(16-12-10-8-6-2)23-27(22-24)30(3,4)29-20-19-26-17-13-14-18-28(26)29;;;;/h13-14,17-19,21-23,29H,5-12,15-16H2,1-4H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride?
(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride has a molecular weight of 571.96 g/mol, XLogP of -0.99, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173384911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).