(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride

C18H27Cl3SiTi — CID 158943270

IUPAC(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCC1([SiH2][c-]2ccc(C(C)(C)C)c2)C=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H27Si.3ClH.Ti/c1-5-11-18(12-7-6-8-13-18)19-16-10-9-15(14-16)17(2,3)4;;;;/h6-10,12,14H,5,11,13,19H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFHUZHQQOXLQUKM-UHFFFAOYSA-K
MW425.73 g/mol
LogP-5.02
Rot. Bonds4

About (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride

(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 158943270) has the molecular formula C18H27Cl3SiTi and a molecular weight of 425.73 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID158943270
Molecular FormulaC18H27Cl3SiTi
Molecular Weight425.73 g/mol
Exact Mass424.04
IUPAC Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCC1([SiH2][c-]2ccc(C(C)(C)C)c2)C=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H27Si.3ClH.Ti/c1-5-11-18(12-7-6-8-13-18)19-16-10-9-15(14-16)17(2,3)4;;;;/h6-10,12,14H,5,11,13,19H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFHUZHQQOXLQUKM-UHFFFAOYSA-K
XLogP-5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.73
LogP ≤ 5-5.02
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 (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride (CID 158943270) is (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride is CCCC1([SiH2][c-]2ccc(C(C)(C)C)c2)C=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is FHUZHQQOXLQUKM-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H27Si.3ClH.Ti/c1-5-11-18(12-7-6-8-13-18)19-16-10-9-15(14-16)17(2,3)4;;;;/h6-10,12,14H,5,11,13,19H2,1-4H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 425.73 g/mol, XLogP of -5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 158943270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).