cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride

C11H19Cl2OSiTi — CID 87975727

IUPACcyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride
SMILESCC(C)O[Si](C)(C)CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-10(2)12-13(3,4)9-11-7-5-6-8-11;;;/h5,7,10H,6,9H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeySXXKKRHLZMZEFP-UHFFFAOYSA-L
MW314.13 g/mol
LogP-2.69
Rot. Bonds4

About cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride

cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride (PubChem CID 87975727) has the molecular formula C11H19Cl2OSiTi and a molecular weight of 314.13 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride
PubChem CID87975727
Molecular FormulaC11H19Cl2OSiTi
Molecular Weight314.13 g/mol
Exact Mass313.01
IUPAC Namecyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride
SMILESCC(C)O[Si](C)(C)CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-10(2)12-13(3,4)9-11-7-5-6-8-11;;;/h5,7,10H,6,9H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeySXXKKRHLZMZEFP-UHFFFAOYSA-L
XLogP-2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 5-2.69
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

tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
CID 134993571
6-(Tert-butyldimethylsilyloxy)fulvene
CID 13476948
Tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane
CID 15810785
2,6-Dimethyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)oxasilinane
CID 21977944
2-(Cyclopenta-2,4-dien-1-ylidenemethyl)-2,6-dimethyloxasilinane
CID 21977955
(Tetramethylcyclopentadienyl)dimethyl(1-methylethoxy)silane
CID 69781327
Cyclopenta-1,4-dien-1-yl(trimethyl)silane;propan-2-yl hypochlorite;vanadium
CID 87962966
Cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium;dihydrochloride
CID 87975729
1-Cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride
CID 87975731
2-Cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium(3+);dichloride
CID 87975732
1-Cyclopenta-1,4-dien-1-ylethyl-ethoxy-dimethylsilane;titanium;dihydrochloride
CID 87975734
Cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propoxysilane;titanium;dihydrochloride
CID 87975752

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride (CID 87975727) is cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride is CC(C)O[Si](C)(C)CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride?
The InChIKey is SXXKKRHLZMZEFP-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H19OSi.2ClH.Ti/c1-10(2)12-13(3,4)9-11-7-5-6-8-11;;;/h5,7,10H,6,9H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride?
cyclopenta-1,4-dien-1-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride has a molecular weight of 314.13 g/mol, XLogP of -2.69, 4 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-ylmethyl-dimethyl-propan-2-yloxysilane;titanium(3+);dichloride is sourced from PubChem (CID 87975727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).