butan-1-ol;ethanol;zirconium

C10H28O4Zr — CID 87234004

IUPACbutan-1-ol;ethanol;zirconium
SMILESCCCCO.CCO.CCO.CCO.[Zr]
InChIInChI=1S/C4H10O.3C2H6O.Zr/c1-2-3-4-5;3*1-2-3;/h5H,2-4H2,1H3;3*3H,2H2,1H3;
InChIKeyORASCNIPPBAMSM-UHFFFAOYSA-N
MW303.55 g/mol
LogP0.77
Rot. Bonds2

About butan-1-ol;ethanol;zirconium

butan-1-ol;ethanol;zirconium (PubChem CID 87234004) has the molecular formula C10H28O4Zr and a molecular weight of 303.55 g/mol. Its IUPAC name is butan-1-ol;ethanol;zirconium.

Molecular Properties

Compound Namebutan-1-ol;ethanol;zirconium
PubChem CID87234004
Molecular FormulaC10H28O4Zr
Molecular Weight303.55 g/mol
Exact Mass302.10
IUPAC Namebutan-1-ol;ethanol;zirconium
SMILESCCCCO.CCO.CCO.CCO.[Zr]
InChIInChI=1S/C4H10O.3C2H6O.Zr/c1-2-3-4-5;3*1-2-3;/h5H,2-4H2,1H3;3*3H,2H2,1H3;
InChIKeyORASCNIPPBAMSM-UHFFFAOYSA-N
XLogP0.77
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.55
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

butan-1-ol;ethanol;titanium;zirconium
CID 173180305
tris(butan-1-ol);zirconium
CID 25200102
tetrakis(butan-1-ol);titanium;zirconium
CID 158276208
butan-1-ol;methanol;zirconium
CID 175401462
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol
CID 20532113
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
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butane;butan-1-ol
CID 19774960
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethanol;zirconium?
The IUPAC name of butan-1-ol;ethanol;zirconium (CID 87234004) is butan-1-ol;ethanol;zirconium.
What is the SMILES notation for butan-1-ol;ethanol;zirconium?
The canonical SMILES for butan-1-ol;ethanol;zirconium is CCCCO.CCO.CCO.CCO.[Zr].
What is the InChIKey of butan-1-ol;ethanol;zirconium?
The InChIKey is ORASCNIPPBAMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.3C2H6O.Zr/c1-2-3-4-5;3*1-2-3;/h5H,2-4H2,1H3;3*3H,2H2,1H3;.
What are the key properties of butan-1-ol;ethanol;zirconium?
butan-1-ol;ethanol;zirconium has a molecular weight of 303.55 g/mol, XLogP of 0.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethanol;zirconium is sourced from PubChem (CID 87234004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).