bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium

C30H72O10Si2Ti — CID 140942252

IUPACbis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium
SMILESCC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CCCO.CCCO.[Ti]
InChIInChI=1S/2C12H28O4Si.2C3H8O.Ti/c2*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;2*1-2-3-4;/h2*13H,1-9H3;2*4H,2-3H2,1H3;
InChIKeyGRKQMFKTFVHFSO-UHFFFAOYSA-N
MW696.94 g/mol
LogP6.49
Rot. Bonds8

About bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium

bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium (PubChem CID 140942252) has the molecular formula C30H72O10Si2Ti and a molecular weight of 696.94 g/mol. Its IUPAC name is bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium.

Molecular Properties

Compound Namebis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium
PubChem CID140942252
Molecular FormulaC30H72O10Si2Ti
Molecular Weight696.94 g/mol
Exact Mass696.41
IUPAC Namebis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium
SMILESCC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CCCO.CCCO.[Ti]
InChIInChI=1S/2C12H28O4Si.2C3H8O.Ti/c2*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;2*1-2-3-4;/h2*13H,1-9H3;2*4H,2-3H2,1H3;
InChIKeyGRKQMFKTFVHFSO-UHFFFAOYSA-N
XLogP6.49
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.94
LogP ≤ 56.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate
CID 134814688
dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride
CID 171406239
2-methylpropan-2-ol;propan-1-ol;yttrium
CID 154183382
methoxymethane;bis(propan-1-ol)
CID 137366988
methoxymethane;tris(propan-1-ol)
CID 174760877
ethane;tris(propan-1-ol);titanium
CID 139825357
hydroperoxyethane;propan-1-ol;titanium
CID 22572482
propan-1-ol;hydroiodide
CID 126649388
phosphane;tris(propan-1-ol)
CID 172777513
bis(propan-1-ol);yttrium
CID 20652670
propan-1-ol;sulfanide
CID 19710776
niobium;hexakis(propan-1-ol)
CID 142301963

Frequently Asked Questions

What is the IUPAC name of bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium?
The IUPAC name of bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium (CID 140942252) is bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium.
What is the SMILES notation for bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium?
The canonical SMILES for bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium is CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CCCO.CCCO.[Ti].
What is the InChIKey of bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium?
The InChIKey is GRKQMFKTFVHFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28O4Si.2C3H8O.Ti/c2*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;2*1-2-3-4;/h2*13H,1-9H3;2*4H,2-3H2,1H3;.
What are the key properties of bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium?
bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium has a molecular weight of 696.94 g/mol, XLogP of 6.49, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);bis(propan-1-ol);titanium is sourced from PubChem (CID 140942252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).