butan-1-olate;hydride;zirconium(4+)

C4H12OZr — CID 22376038

IUPACbutan-1-olate;hydride;zirconium(4+)
SMILESCCCC[O-].[H-].[H-].[H-].[Zr+4]
InChIInChI=1S/C4H9O.Zr.3H/c1-2-3-4-5;;;;/h2-4H2,1H3;;;;/q-1;+4;3*-1
InChIKeyDKWXYDRPACDGQY-UHFFFAOYSA-N
MW167.36 g/mol
LogP0.48
Rot. Bonds2

About butan-1-olate;hydride;zirconium(4+)

butan-1-olate;hydride;zirconium(4+) (PubChem CID 22376038) has the molecular formula C4H12OZr and a molecular weight of 167.36 g/mol. Its IUPAC name is butan-1-olate;hydride;zirconium(4+).

Molecular Properties

Compound Namebutan-1-olate;hydride;zirconium(4+)
PubChem CID22376038
Molecular FormulaC4H12OZr
Molecular Weight167.36 g/mol
Exact Mass165.99
IUPAC Namebutan-1-olate;hydride;zirconium(4+)
SMILESCCCC[O-].[H-].[H-].[H-].[Zr+4]
InChIInChI=1S/C4H9O.Zr.3H/c1-2-3-4-5;;;;/h2-4H2,1H3;;;;/q-1;+4;3*-1
InChIKeyDKWXYDRPACDGQY-UHFFFAOYSA-N
XLogP0.48
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.36
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

zinc;hexakis(butan-1-olate);zirconium(4+)
CID 22763682
CID 22242269
CID 22242269
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);niobium(3+)
CID 161059025
tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
bis(butan-1-olate);methanolate;titanium(4+)
CID 14574622
decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
CID 53384475

Frequently Asked Questions

What is the IUPAC name of butan-1-olate;hydride;zirconium(4+)?
The IUPAC name of butan-1-olate;hydride;zirconium(4+) (CID 22376038) is butan-1-olate;hydride;zirconium(4+).
What is the SMILES notation for butan-1-olate;hydride;zirconium(4+)?
The canonical SMILES for butan-1-olate;hydride;zirconium(4+) is CCCC[O-].[H-].[H-].[H-].[Zr+4].
What is the InChIKey of butan-1-olate;hydride;zirconium(4+)?
The InChIKey is DKWXYDRPACDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Zr.3H/c1-2-3-4-5;;;;/h2-4H2,1H3;;;;/q-1;+4;3*-1.
What are the key properties of butan-1-olate;hydride;zirconium(4+)?
butan-1-olate;hydride;zirconium(4+) has a molecular weight of 167.36 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;hydride;zirconium(4+) is sourced from PubChem (CID 22376038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).