(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride

C18H25Cl3SiTi — CID 173383832

IUPAC(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride
SMILESCCCCCC1=C(CC)[C-]=C([SiH2]c2ccccc2)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H25Si.3ClH.Ti/c1-3-5-7-10-16-14-18(13-15(16)4-2)19-17-11-8-6-9-12-17;;;;/h6,8-9,11-12H,3-5,7,10,14,19H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyLJKZJHLKSQJRDH-UHFFFAOYSA-K
MW423.71 g/mol
LogP-5.13
Rot. Bonds7

About (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride

(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride (PubChem CID 173383832) has the molecular formula C18H25Cl3SiTi and a molecular weight of 423.71 g/mol. Its IUPAC name is (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride
PubChem CID173383832
Molecular FormulaC18H25Cl3SiTi
Molecular Weight423.71 g/mol
Exact Mass422.03
IUPAC Name(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride
SMILESCCCCCC1=C(CC)[C-]=C([SiH2]c2ccccc2)C1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H25Si.3ClH.Ti/c1-3-5-7-10-16-14-18(13-15(16)4-2)19-17-11-8-6-9-12-17;;;;/h6,8-9,11-12H,3-5,7,10,14,19H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyLJKZJHLKSQJRDH-UHFFFAOYSA-K
XLogP-5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.71
LogP ≤ 5-5.13
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

(4-pentyl-3-phenylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride
CID 173384714
(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
CID 173384541
[3-butyl-4-(cyclohexylmethyl)cyclopenta-1,3-dien-1-yl]-phenylsilane;titanium(4+);trichloride
CID 173384343
phenyl-(3-propan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride
CID 173383628
(4-pentyl-3-phenylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
CID 173385014
hexakis(decane);ethylbenzene
CID 173398562
(2-decylcyclobuten-1-yl)benzene
CID 10825946
1,2-diheptylcyclopropene
CID 557048
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride?
The IUPAC name of (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride (CID 173383832) is (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride.
What is the SMILES notation for (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride?
The canonical SMILES for (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride is CCCCCC1=C(CC)[C-]=C([SiH2]c2ccccc2)C1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride?
The InChIKey is LJKZJHLKSQJRDH-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H25Si.3ClH.Ti/c1-3-5-7-10-16-14-18(13-15(16)4-2)19-17-11-8-6-9-12-17;;;;/h6,8-9,11-12H,3-5,7,10,14,19H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride?
(3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride has a molecular weight of 423.71 g/mol, XLogP of -5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pentylcyclopenta-1,3-dien-1-yl)-phenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173383832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).