ethanol;hydroxy-tri(propan-2-yl)silane;zirconium

C15H40O4SiZr — CID 140942568

IUPACethanol;hydroxy-tri(propan-2-yl)silane;zirconium
SMILESCC(C)[Si](O)(C(C)C)C(C)C.CCO.CCO.CCO.[Zr]
InChIInChI=1S/C9H22OSi.3C2H6O.Zr/c1-7(2)11(10,8(3)4)9(5)6;3*1-2-3;/h7-10H,1-6H3;3*3H,2H2,1H3;
InChIKeySDFFJQWKMQOOMR-UHFFFAOYSA-N
MW403.79 g/mol
LogP3.15
Rot. Bonds3

About ethanol;hydroxy-tri(propan-2-yl)silane;zirconium

ethanol;hydroxy-tri(propan-2-yl)silane;zirconium (PubChem CID 140942568) has the molecular formula C15H40O4SiZr and a molecular weight of 403.79 g/mol. Its IUPAC name is ethanol;hydroxy-tri(propan-2-yl)silane;zirconium.

Molecular Properties

Compound Nameethanol;hydroxy-tri(propan-2-yl)silane;zirconium
PubChem CID140942568
Molecular FormulaC15H40O4SiZr
Molecular Weight403.79 g/mol
Exact Mass402.17
IUPAC Nameethanol;hydroxy-tri(propan-2-yl)silane;zirconium
SMILESCC(C)[Si](O)(C(C)C)C(C)C.CCO.CCO.CCO.[Zr]
InChIInChI=1S/C9H22OSi.3C2H6O.Zr/c1-7(2)11(10,8(3)4)9(5)6;3*1-2-3;/h7-10H,1-6H3;3*3H,2H2,1H3;
InChIKeySDFFJQWKMQOOMR-UHFFFAOYSA-N
XLogP3.15
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 53.15
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

tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium
CID 140942511
hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)
CID 139997734
hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate
CID 140942561
ethanol;zirconium;chloride
CID 19367424
ethanol;niobium;zirconium
CID 163206501
ethanol;trihydroxy(methyl)silane;hydrate
CID 159079704
ethyl-dihydroxy-propan-2-ylsilane
CID 142708392
hydroxy-tri(propan-2-yl)silane;phenol;zirconium
CID 140942351
ethanol;triazine
CID 158560477
butan-2-ol;ethanol
CID 87396559
ethane-1,1-diol;ethanol;methane;propane
CID 161040342
ethane-1,2-diol;ethanol;propan-2-ol
CID 172702663

Frequently Asked Questions

What is the IUPAC name of ethanol;hydroxy-tri(propan-2-yl)silane;zirconium?
The IUPAC name of ethanol;hydroxy-tri(propan-2-yl)silane;zirconium (CID 140942568) is ethanol;hydroxy-tri(propan-2-yl)silane;zirconium.
What is the SMILES notation for ethanol;hydroxy-tri(propan-2-yl)silane;zirconium?
The canonical SMILES for ethanol;hydroxy-tri(propan-2-yl)silane;zirconium is CC(C)[Si](O)(C(C)C)C(C)C.CCO.CCO.CCO.[Zr].
What is the InChIKey of ethanol;hydroxy-tri(propan-2-yl)silane;zirconium?
The InChIKey is SDFFJQWKMQOOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi.3C2H6O.Zr/c1-7(2)11(10,8(3)4)9(5)6;3*1-2-3;/h7-10H,1-6H3;3*3H,2H2,1H3;.
What are the key properties of ethanol;hydroxy-tri(propan-2-yl)silane;zirconium?
ethanol;hydroxy-tri(propan-2-yl)silane;zirconium has a molecular weight of 403.79 g/mol, XLogP of 3.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hydroxy-tri(propan-2-yl)silane;zirconium is sourced from PubChem (CID 140942568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).