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

C12H21Cl2OSiTi — CID 173208037

IUPAC[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride
SMILESCCCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H21OSi.2ClH.Ti/c1-4-5-10-13-12(14(2)3)11-8-6-7-9-11;;;/h6,8,12,14H,4-5,7,10H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyKPVSEHSLUVIBCP-UHFFFAOYSA-L
MW328.16 g/mol
LogP-3.11
Rot. Bonds6

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

[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride (PubChem CID 173208037) has the molecular formula C12H21Cl2OSiTi and a molecular weight of 328.16 g/mol. Its IUPAC name is [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Name[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride
PubChem CID173208037
Molecular FormulaC12H21Cl2OSiTi
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride
SMILESCCCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H21OSi.2ClH.Ti/c1-4-5-10-13-12(14(2)3)11-8-6-7-9-11;;;/h6,8,12,14H,4-5,7,10H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyKPVSEHSLUVIBCP-UHFFFAOYSA-L
XLogP-3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 5-3.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride (CID 173208037) is [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride is CCCCOC(C1=[C-]CC=C1)[SiH](C)C.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride?
The InChIKey is KPVSEHSLUVIBCP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H21OSi.2ClH.Ti/c1-4-5-10-13-12(14(2)3)11-8-6-7-9-11;;;/h6,8,12,14H,4-5,7,10H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride?
[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride has a molecular weight of 328.16 g/mol, XLogP of -3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 173208037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).