cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol

C19H31OSi2Ti — CID 87496612

IUPACcyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol
SMILESC=[Ti+].C[Si](C)(C)C1=[C-]CC=C1.Cc1cc(O)cc([Si](C)(C)C)c1
InChIInChI=1S/C10H16OSi.C8H13Si.CH2.Ti/c1-8-5-9(11)7-10(6-8)12(2,3)4;1-9(2,3)8-6-4-5-7-8;;/h5-7,11H,1-4H3;4,6H,5H2,1-3H3;1H2;/q;-1;;+1
InChIKeyWWNPFDILILAUMQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.76
Rot. Bonds2

About cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol

cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol (PubChem CID 87496612) has the molecular formula C19H31OSi2Ti and a molecular weight of 379.50 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol
PubChem CID87496612
Molecular FormulaC19H31OSi2Ti
Molecular Weight379.50 g/mol
Exact Mass379.14
IUPAC Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol
SMILESC=[Ti+].C[Si](C)(C)C1=[C-]CC=C1.Cc1cc(O)cc([Si](C)(C)C)c1
InChIInChI=1S/C10H16OSi.C8H13Si.CH2.Ti/c1-8-5-9(11)7-10(6-8)12(2,3)4;1-9(2,3)8-6-4-5-7-8;;/h5-7,11H,1-4H3;4,6H,5H2,1-3H3;1H2;/q;-1;;+1
InChIKeyWWNPFDILILAUMQ-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
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(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol?
The IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol (CID 87496612) is cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol is C=[Ti+].C[Si](C)(C)C1=[C-]CC=C1.Cc1cc(O)cc([Si](C)(C)C)c1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol?
The InChIKey is WWNPFDILILAUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi.C8H13Si.CH2.Ti/c1-8-5-9(11)7-10(6-8)12(2,3)4;1-9(2,3)8-6-4-5-7-8;;/h5-7,11H,1-4H3;4,6H,5H2,1-3H3;1H2;/q;-1;;+1.
What are the key properties of cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol?
cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol has a molecular weight of 379.50 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol is sourced from PubChem (CID 87496612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).