bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)

C26H48Si3Ti — CID 172744243

IUPACbis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)
SMILESCCCCC1=CC([Si](C)(C)C)=[C-]C1.CCCCC1=CC([Si](C)(C)C)=[C-]C1.C[Si](C)=[Ti+2]
InChIInChI=1S/2C12H21Si.C2H6Si.Ti/c2*1-5-6-7-11-8-9-12(10-11)13(2,3)4;1-3-2;/h2*10H,5-8H2,1-4H3;1-2H3;/q2*-1;;+2
InChIKeyDPCAWLTUXFHGSG-UHFFFAOYSA-N
MW492.80 g/mol
LogP9.01
Rot. Bonds8

About bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)

bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+) (PubChem CID 172744243) has the molecular formula C26H48Si3Ti and a molecular weight of 492.80 g/mol. Its IUPAC name is bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+).

Molecular Properties

Compound Namebis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)
PubChem CID172744243
Molecular FormulaC26H48Si3Ti
Molecular Weight492.80 g/mol
Exact Mass492.25
IUPAC Namebis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)
SMILESCCCCC1=CC([Si](C)(C)C)=[C-]C1.CCCCC1=CC([Si](C)(C)C)=[C-]C1.C[Si](C)=[Ti+2]
InChIInChI=1S/2C12H21Si.C2H6Si.Ti/c2*1-5-6-7-11-8-9-12(10-11)13(2,3)4;1-3-2;/h2*10H,5-8H2,1-4H3;1-2H3;/q2*-1;;+2
InChIKeyDPCAWLTUXFHGSG-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.80
LogP ≤ 59.01
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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Related Compounds

3,8-Bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
CID 15049571
trimethyl-[(2E)-5-pentyldeca-2,4-dienyl]silane
CID 11196759
[(2E,6E)-3,6-dimethyl-8-trimethylsilylocta-2,6-dienyl]-trimethylsilane
CID 13234485
Trimethyl-[2-(trimethylsilylmethyl)dodec-2-enyl]silane
CID 16046668
1,1-Dimethyl-2,4-dioctylsilole
CID 101836332
2,4-Dihexyl-1,1-dimethylsilole
CID 102088905
[1-Deutero-2-(2-deutero1-cycloocten-1-yl)-hex-1-en-1-yl](trimethyl)silane
CID 129754933
(2-1-Cycloocten-1-yl-hex-1-en-1-yl)(trimethyl)-silane
CID 129755114
trimethyl-[(2Z)-2-(2-trimethylsilylethylidene)heptyl]silane
CID 134978849
trimethyl-[(2Z)-5-pentyldeca-2,4-dienyl]silane
CID 134993775
[(Z)-2-(cyclohexen-1-yl)ethenyl]-tris(trimethylsilyl)silane
CID 135059316
trimethyl-[(1E,3E,5Z)-5-methyldodeca-1,3,5-trienyl]silane
CID 135070625

Frequently Asked Questions

What is the IUPAC name of bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)?
The IUPAC name of bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+) (CID 172744243) is bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+).
What is the SMILES notation for bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)?
The canonical SMILES for bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+) is CCCCC1=CC([Si](C)(C)C)=[C-]C1.CCCCC1=CC([Si](C)(C)C)=[C-]C1.C[Si](C)=[Ti+2].
What is the InChIKey of bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)?
The InChIKey is DPCAWLTUXFHGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H21Si.C2H6Si.Ti/c2*1-5-6-7-11-8-9-12(10-11)13(2,3)4;1-3-2;/h2*10H,5-8H2,1-4H3;1-2H3;/q2*-1;;+2.
What are the key properties of bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)?
bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+) has a molecular weight of 492.80 g/mol, XLogP of 9.01, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+) is sourced from PubChem (CID 172744243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).