cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride

C8H13Cl2OSiTi — CID 87976705

IUPACcyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride
SMILESCO[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C8H13OSi.2ClH.Ti/c1-9-10(2,3)8-6-4-5-7-8;;;/h4,6H,5H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyRPWCIPDYMYXHHI-UHFFFAOYSA-L
MW272.05 g/mol
LogP-3.93
Rot. Bonds2

About cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride

cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride (PubChem CID 87976705) has the molecular formula C8H13Cl2OSiTi and a molecular weight of 272.05 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride
PubChem CID87976705
Molecular FormulaC8H13Cl2OSiTi
Molecular Weight272.05 g/mol
Exact Mass270.96
IUPAC Namecyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride
SMILESCO[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C8H13OSi.2ClH.Ti/c1-9-10(2,3)8-6-4-5-7-8;;;/h4,6H,5H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyRPWCIPDYMYXHHI-UHFFFAOYSA-L
XLogP-3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 5-3.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride
CID 87195691
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride
CID 57351468
cyclopenta-1,4-dien-1-yl(trimethyl)silane;ruthenium(1+)
CID 174573156
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);nickel(2+)
CID 140556660
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);hydride;samarium
CID 173206877
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium(4+);dichloride
CID 87839436
cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride
CID 87976157
2-methoxycyclopenta-1,3-diene;titanium(3+);dichloride
CID 87976655
cyclopenta-1,4-dien-1-yl-[cyclopenta-1,4-dien-1-yl-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;zirconium(4+);dichloride
CID 87448319
lithium tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane
CID 18347364
tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride
CID 87316415
bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)
CID 175066339

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride (CID 87976705) is cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride is CO[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride?
The InChIKey is RPWCIPDYMYXHHI-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H13OSi.2ClH.Ti/c1-9-10(2,3)8-6-4-5-7-8;;;/h4,6H,5H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride?
cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride has a molecular weight of 272.05 g/mol, XLogP of -3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-methoxy-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 87976705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).