hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)

C24H60HfO4Si2 — CID 139997734

IUPAChafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.CC(C)[Si](O)(C(C)C)C(C)C.[Hf]
InChIInChI=1S/2C9H22OSi.2C3H8O.Hf/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3(2)4;/h2*7-10H,1-6H3;2*3-4H,1-2H3;
InChIKeyJXTALMMKIGCDIN-UHFFFAOYSA-N
MW647.40 g/mol
LogP7.08
Rot. Bonds6

About hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)

hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) (PubChem CID 139997734) has the molecular formula C24H60HfO4Si2 and a molecular weight of 647.40 g/mol. Its IUPAC name is hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol).

Molecular Properties

Compound Namehafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)
PubChem CID139997734
Molecular FormulaC24H60HfO4Si2
Molecular Weight647.40 g/mol
Exact Mass648.35
IUPAC Namehafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.CC(C)[Si](O)(C(C)C)C(C)C.[Hf]
InChIInChI=1S/2C9H22OSi.2C3H8O.Hf/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3(2)4;/h2*7-10H,1-6H3;2*3-4H,1-2H3;
InChIKeyJXTALMMKIGCDIN-UHFFFAOYSA-N
XLogP7.08
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.40
LogP ≤ 57.08
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

hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate
CID 140942561
ethanol;hydroxy-tri(propan-2-yl)silane;zirconium
CID 140942568
hydroxy(trimethyl)silane;propan-2-ol
CID 172704934
niobium;tris(propan-2-ol)
CID 140526066
methanol;pentakis(propan-2-ol)
CID 19010899
cerium;tetrakis(propan-2-ol)
CID 87109563
molybdenum;bis(propan-2-ol)
CID 139825284
CID 85354423
CID 85354423
tetrakis(propan-2-ol);samarium
CID 175326578
Indium(III) isopropoxide
CID 159258374
propan-2-ol;titanium
CID 25200171
CID 131857540
CID 131857540

Frequently Asked Questions

What is the IUPAC name of hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?
The IUPAC name of hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) (CID 139997734) is hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol).
What is the SMILES notation for hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?
The canonical SMILES for hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) is CC(C)O.CC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.CC(C)[Si](O)(C(C)C)C(C)C.[Hf].
What is the InChIKey of hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?
The InChIKey is JXTALMMKIGCDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H22OSi.2C3H8O.Hf/c2*1-7(2)11(10,8(3)4)9(5)6;2*1-3(2)4;/h2*7-10H,1-6H3;2*3-4H,1-2H3;.
What are the key properties of hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)?
hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) has a molecular weight of 647.40 g/mol, XLogP of 7.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol) is sourced from PubChem (CID 139997734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).