[cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride

C11H19Cl2OSiTi — CID 173207929

IUPAC[cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride
SMILESCCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-4-9-12-11(13(2)3)10-7-5-6-8-10;;;/h5,7,11,13H,4,6,9H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyBKXPAEKBSGAWPB-UHFFFAOYSA-L
MW314.13 g/mol
LogP-3.50
Rot. Bonds5

About [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride

[cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride (PubChem CID 173207929) has the molecular formula C11H19Cl2OSiTi and a molecular weight of 314.13 g/mol. Its IUPAC name is [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Name[cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride
PubChem CID173207929
Molecular FormulaC11H19Cl2OSiTi
Molecular Weight314.13 g/mol
Exact Mass313.01
IUPAC Name[cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride
SMILESCCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-4-9-12-11(13(2)3)10-7-5-6-8-10;;;/h5,7,11,13H,4,6,9H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyBKXPAEKBSGAWPB-UHFFFAOYSA-L
XLogP-3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 5-3.50
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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Frequently Asked Questions

What is the IUPAC name of [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride (CID 173207929) is [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride is CCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
The InChIKey is BKXPAEKBSGAWPB-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H19OSi.2ClH.Ti/c1-4-9-12-11(13(2)3)10-7-5-6-8-10;;;/h5,7,11,13H,4,6,9H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride?
[cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride has a molecular weight of 314.13 g/mol, XLogP of -3.50, 5 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(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 173207929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).