tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))

C48H84N4O8Si4Ti2 — CID 139128847

IUPACtetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))
SMILESCC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[Ti+4].[Ti+4]
InChIInChI=1S/4C6H6NO.4C6H15OSi.2Ti/c4*8-5-6-3-1-2-4-7-6;4*1-6(2,3)8(4,5)7;;/h4*1-4H,5H2;4*1-5H3;;/q8*-1;2*+4
InChIKeyIMIHUBOGJWQRGT-UHFFFAOYSA-N
MW1053.30 g/mol
LogP5.17
Rot. Bonds4

About tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))

tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+)) (PubChem CID 139128847) has the molecular formula C48H84N4O8Si4Ti2 and a molecular weight of 1053.30 g/mol. Its IUPAC name is tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+)).

Molecular Properties

Compound Nametetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))
PubChem CID139128847
Molecular FormulaC48H84N4O8Si4Ti2
Molecular Weight1053.30 g/mol
Exact Mass1052.43
IUPAC Nametetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))
SMILESCC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[Ti+4].[Ti+4]
InChIInChI=1S/4C6H6NO.4C6H15OSi.2Ti/c4*8-5-6-3-1-2-4-7-6;4*1-6(2,3)8(4,5)7;;/h4*1-4H,5H2;4*1-5H3;;/q8*-1;2*+4
InChIKeyIMIHUBOGJWQRGT-UHFFFAOYSA-N
XLogP5.17
TPSA236.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.30
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))?
The IUPAC name of tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+)) (CID 139128847) is tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+)).
What is the SMILES notation for tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))?
The canonical SMILES for tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+)) is CC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].CC(C)(C)[Si](C)(C)[O-].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[Ti+4].[Ti+4].
What is the InChIKey of tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))?
The InChIKey is IMIHUBOGJWQRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6NO.4C6H15OSi.2Ti/c4*8-5-6-3-1-2-4-7-6;4*1-6(2,3)8(4,5)7;;/h4*1-4H,5H2;4*1-5H3;;/q8*-1;2*+4.
What are the key properties of tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+))?
tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+)) has a molecular weight of 1053.30 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(tert-butyl-dimethyl-oxidosilane);tetrakis(pyridin-2-ylmethanolate);bis(titanium(4+)) is sourced from PubChem (CID 139128847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).