bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)

C20H52O4Si2Ti — CID 140942387

IUPACbis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)
SMILESCC(C)(C)O.CC(C)(C)O.CC[Si](O)(CC)CC.CC[Si](O)(CC)CC.[Ti]
InChIInChI=1S/2C6H16OSi.2C4H10O.Ti/c2*1-4-8(7,5-2)6-3;2*1-4(2,3)5;/h2*7H,4-6H2,1-3H3;2*5H,1-3H3;
InChIKeyDEOBLODBCKPPOH-UHFFFAOYSA-N
MW460.67 g/mol
LogP5.52
Rot. Bonds6

About bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)

bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane) (PubChem CID 140942387) has the molecular formula C20H52O4Si2Ti and a molecular weight of 460.67 g/mol. Its IUPAC name is bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane).

Molecular Properties

Compound Namebis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)
PubChem CID140942387
Molecular FormulaC20H52O4Si2Ti
Molecular Weight460.67 g/mol
Exact Mass460.29
IUPAC Namebis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)
SMILESCC(C)(C)O.CC(C)(C)O.CC[Si](O)(CC)CC.CC[Si](O)(CC)CC.[Ti]
InChIInChI=1S/2C6H16OSi.2C4H10O.Ti/c2*1-4-8(7,5-2)6-3;2*1-4(2,3)5;/h2*7H,4-6H2,1-3H3;2*5H,1-3H3;
InChIKeyDEOBLODBCKPPOH-UHFFFAOYSA-N
XLogP5.52
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 55.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hafnium;tetrakis(triethyl(hydroxy)silane)
CID 87525404
bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium
CID 140942637
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
carbanide;2-methylpropan-2-ol;titanium
CID 174438258
bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium
CID 140942339
tert-butyl-ethyl-dihydroxysilane
CID 87762514
2-methylpropan-2-ol;neodymium
CID 154348927
lithium 2-methylpropan-2-ol
CID 21120036
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;molybdenum
CID 174435313
methane;2-methylpropan-2-ol
CID 157161859
gallane;tris(2-methylpropan-2-ol)
CID 175569744

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)?
The IUPAC name of bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane) (CID 140942387) is bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane).
What is the SMILES notation for bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)?
The canonical SMILES for bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane) is CC(C)(C)O.CC(C)(C)O.CC[Si](O)(CC)CC.CC[Si](O)(CC)CC.[Ti].
What is the InChIKey of bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)?
The InChIKey is DEOBLODBCKPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16OSi.2C4H10O.Ti/c2*1-4-8(7,5-2)6-3;2*1-4(2,3)5;/h2*7H,4-6H2,1-3H3;2*5H,1-3H3;.
What are the key properties of bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)?
bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane) has a molecular weight of 460.67 g/mol, XLogP of 5.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane) is sourced from PubChem (CID 140942387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).