butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)

C13H40HfO4Si3 — CID 139997723

IUPACbutan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)
SMILESCCCCO.C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O.[Hf]
InChIInChI=1S/C4H10O.3C3H10OSi.Hf/c1-2-3-4-5;3*1-5(2,3)4;/h5H,2-4H2,1H3;3*4H,1-3H3;
InChIKeyBTJGBMSIPLIGOJ-UHFFFAOYSA-N
MW523.21 g/mol
LogP3.22
Rot. Bonds2

About butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)

butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane) (PubChem CID 139997723) has the molecular formula C13H40HfO4Si3 and a molecular weight of 523.21 g/mol. Its IUPAC name is butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane).

Molecular Properties

Compound Namebutan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)
PubChem CID139997723
Molecular FormulaC13H40HfO4Si3
Molecular Weight523.21 g/mol
Exact Mass524.17
IUPAC Namebutan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)
SMILESCCCCO.C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O.[Hf]
InChIInChI=1S/C4H10O.3C3H10OSi.Hf/c1-2-3-4-5;3*1-5(2,3)4;/h5H,2-4H2,1H3;3*4H,1-3H3;
InChIKeyBTJGBMSIPLIGOJ-UHFFFAOYSA-N
XLogP3.22
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.21
LogP ≤ 53.22
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

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sodium butan-1-ol
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CID 23065762
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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)?
The IUPAC name of butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane) (CID 139997723) is butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane).
What is the SMILES notation for butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)?
The canonical SMILES for butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane) is CCCCO.C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O.[Hf].
What is the InChIKey of butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)?
The InChIKey is BTJGBMSIPLIGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.3C3H10OSi.Hf/c1-2-3-4-5;3*1-5(2,3)4;/h5H,2-4H2,1H3;3*4H,1-3H3;.
What are the key properties of butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)?
butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane) has a molecular weight of 523.21 g/mol, XLogP of 3.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane) is sourced from PubChem (CID 139997723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).