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

C18H27Cl3SiTi — CID 159874355

IUPAC(3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCCc1cc[c-]([SiH2]C2(CCC)C=CC=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H27Si.3ClH.Ti/c1-3-5-9-16-10-11-17(15-16)19-18(12-4-2)13-7-6-8-14-18;;;;/h6-8,10-11,13,15H,3-5,9,12,14,19H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyUVNVNDQSFUNUKR-UHFFFAOYSA-K
MW425.73 g/mol
LogP-4.97
Rot. Bonds7

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

(3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 159874355) has the molecular formula C18H27Cl3SiTi and a molecular weight of 425.73 g/mol. Its IUPAC name is (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID159874355
Molecular FormulaC18H27Cl3SiTi
Molecular Weight425.73 g/mol
Exact Mass424.04
IUPAC Name(3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCCc1cc[c-]([SiH2]C2(CCC)C=CC=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H27Si.3ClH.Ti/c1-3-5-9-16-10-11-17(15-16)19-18(12-4-2)13-7-6-8-14-18;;;;/h6-8,10-11,13,15H,3-5,9,12,14,19H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyUVNVNDQSFUNUKR-UHFFFAOYSA-K
XLogP-4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.73
LogP ≤ 5-4.97
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'}

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

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Launch Full Analysis

Related Compounds

(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 158943270
(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 158076869
[1-(2-methylbutyl)cyclohexa-2,4-dien-1-yl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 160600525
bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
CID 154047489
2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium
CID 173380449
magnesium bis(2,5-dibutylcyclopenta-1,3-diene)
CID 169222882
bis(2,5-dibutylcyclopenta-1,3-diene);zirconium(2+)
CID 154068385
N-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4-octyl-N-(4-octylphenyl)aniline
CID 140987019
4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine
CID 151759391
3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol
CID 174759641
(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 152546848
(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173384658

Frequently Asked Questions

What is the IUPAC name of (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride (CID 159874355) is (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride is CCCCc1cc[c-]([SiH2]C2(CCC)C=CC=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is UVNVNDQSFUNUKR-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H27Si.3ClH.Ti/c1-3-5-9-16-10-11-17(15-16)19-18(12-4-2)13-7-6-8-14-18;;;;/h6-8,10-11,13,15H,3-5,9,12,14,19H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride?
(3-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 -4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 159874355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).