bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)

C18H38O8Si2Ti — CID 87233745

IUPACbis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)
SMILESCCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].C[Si](C)(C)O.C[Si](C)(C)O.[Ti+2]
InChIInChI=1S/2C6H10O3.2C3H10OSi.Ti/c2*1-2-3-5(7)4-6(8)9;2*1-5(2,3)4;/h2*2-4H2,1H3,(H,8,9);2*4H,1-3H3;/q;;;;+2/p-2
InChIKeyKYCYYVFJTGSWCG-UHFFFAOYSA-L
MW486.53 g/mol
LogP0.62
Rot. Bonds8

About bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)

bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+) (PubChem CID 87233745) has the molecular formula C18H38O8Si2Ti and a molecular weight of 486.53 g/mol. Its IUPAC name is bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+).

Molecular Properties

Compound Namebis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)
PubChem CID87233745
Molecular FormulaC18H38O8Si2Ti
Molecular Weight486.53 g/mol
Exact Mass486.16
IUPAC Namebis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)
SMILESCCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].C[Si](C)(C)O.C[Si](C)(C)O.[Ti+2]
InChIInChI=1S/2C6H10O3.2C3H10OSi.Ti/c2*1-2-3-5(7)4-6(8)9;2*1-5(2,3)4;/h2*2-4H2,1H3,(H,8,9);2*4H,1-3H3;/q;;;;+2/p-2
InChIKeyKYCYYVFJTGSWCG-UHFFFAOYSA-L
XLogP0.62
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-Ketoadipic acid, TMS # 1
CID 91749591
Bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)
CID 87233667
Titanium;bis(trimethylsilyl 3-oxohexaneperoxoate)
CID 159049384
Trimethylsilyl 3-oxohexaneperoxoate
CID 159049385

Frequently Asked Questions

What is the IUPAC name of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)?
The IUPAC name of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+) (CID 87233745) is bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+).
What is the SMILES notation for bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)?
The canonical SMILES for bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+) is CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].C[Si](C)(C)O.C[Si](C)(C)O.[Ti+2].
What is the InChIKey of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)?
The InChIKey is KYCYYVFJTGSWCG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H10O3.2C3H10OSi.Ti/c2*1-2-3-5(7)4-6(8)9;2*1-5(2,3)4;/h2*2-4H2,1H3,(H,8,9);2*4H,1-3H3;/q;;;;+2/p-2.
What are the key properties of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+)?
bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+) has a molecular weight of 486.53 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);titanium(2+) is sourced from PubChem (CID 87233745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).