dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)

C16H28SiTi+2 — CID 158789403

IUPACdimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)
SMILESC=CC=CC.CC1=CC(C)([SiH](C)C)C(C)=C1C.[Ti+2]
InChIInChI=1S/C11H20Si.C5H8.Ti/c1-8-7-11(4,12(5)6)10(3)9(8)2;1-3-5-4-2;/h7,12H,1-6H3;3-5H,1H2,2H3;/q;;+2
InChIKeyISBUARIXKKGJIH-UHFFFAOYSA-N
MW296.35 g/mol
LogP5.28
Rot. Bonds2

About dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)

dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+) (PubChem CID 158789403) has the molecular formula C16H28SiTi+2 and a molecular weight of 296.35 g/mol. Its IUPAC name is dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namedimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)
PubChem CID158789403
Molecular FormulaC16H28SiTi+2
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Namedimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)
SMILESC=CC=CC.CC1=CC(C)([SiH](C)C)C(C)=C1C.[Ti+2]
InChIInChI=1S/C11H20Si.C5H8.Ti/c1-8-7-11(4,12(5)6)10(3)9(8)2;1-3-5-4-2;/h7,12H,1-6H3;3-5H,1H2,2H3;/q;;+2
InChIKeyISBUARIXKKGJIH-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
carbanide;penta-1,3-diene;titanium(4+);trifluoride
CID 161466579
(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium
CID 162063708
1-[(1Z)-buta-1,3-dienyl]-2,3,3,6,6-pentamethylcyclohexa-1,4-diene
CID 143982142
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
methane;(3E)-penta-1,3-diene;propane
CID 143129609
ethane;penta-1,3-diene;propane
CID 143367111
5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 134341968

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)?
The IUPAC name of dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+) (CID 158789403) is dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+).
What is the SMILES notation for dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)?
The canonical SMILES for dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+) is C=CC=CC.CC1=CC(C)([SiH](C)C)C(C)=C1C.[Ti+2].
What is the InChIKey of dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)?
The InChIKey is ISBUARIXKKGJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si.C5H8.Ti/c1-8-7-11(4,12(5)6)10(3)9(8)2;1-3-5-4-2;/h7,12H,1-6H3;3-5H,1H2,2H3;/q;;+2.
What are the key properties of dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+)?
dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+) has a molecular weight of 296.35 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;penta-1,3-diene;titanium(2+) is sourced from PubChem (CID 158789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).