[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

C19H27Cl3SiTi — CID 161329747

IUPAC[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCc1cc[c-]([SiH2]C2(CC3CCCCC3)C=CC=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H27Si.3ClH.Ti/c1-16-10-11-18(14-16)20-19(12-6-3-7-13-19)15-17-8-4-2-5-9-17;;;;/h3,6-7,10-12,14,17H,2,4-5,8-9,13,15,20H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyRCOSDVJCORVOLB-UHFFFAOYSA-K
MW437.74 g/mol
LogP-4.84
Rot. Bonds4

About [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 161329747) has the molecular formula C19H27Cl3SiTi and a molecular weight of 437.74 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID161329747
Molecular FormulaC19H27Cl3SiTi
Molecular Weight437.74 g/mol
Exact Mass436.04
IUPAC Name[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCc1cc[c-]([SiH2]C2(CC3CCCCC3)C=CC=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H27Si.3ClH.Ti/c1-16-10-11-18(14-16)20-19(12-6-3-7-13-19)15-17-8-4-2-5-9-17;;;;/h3,6-7,10-12,14,17H,2,4-5,8-9,13,15,20H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyRCOSDVJCORVOLB-UHFFFAOYSA-K
XLogP-4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.74
LogP ≤ 5-4.84
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 [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (CID 161329747) is [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is Cc1cc[c-]([SiH2]C2(CC3CCCCC3)C=CC=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is RCOSDVJCORVOLB-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H27Si.3ClH.Ti/c1-16-10-11-18(14-16)20-19(12-6-3-7-13-19)15-17-8-4-2-5-9-17;;;;/h3,6-7,10-12,14,17H,2,4-5,8-9,13,15,20H2,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 437.74 g/mol, XLogP of -4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]-(3-methylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 161329747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).