tetrakis(butan-1-ol);oxozirconium

C16H40O5Zr — CID 173370140

IUPACtetrakis(butan-1-ol);oxozirconium
SMILESCCCCO.CCCCO.CCCCO.CCCCO.O=[Zr]
InChIInChI=1S/4C4H10O.O.Zr/c4*1-2-3-4-5;;/h4*5H,2-4H2,1H3;;
InChIKeyWYWKLNVWYUPFNK-UHFFFAOYSA-N
MW403.72 g/mol
LogP2.99
Rot. Bonds8

About tetrakis(butan-1-ol);oxozirconium

tetrakis(butan-1-ol);oxozirconium (PubChem CID 173370140) has the molecular formula C16H40O5Zr and a molecular weight of 403.72 g/mol. Its IUPAC name is tetrakis(butan-1-ol);oxozirconium.

Molecular Properties

Compound Nametetrakis(butan-1-ol);oxozirconium
PubChem CID173370140
Molecular FormulaC16H40O5Zr
Molecular Weight403.72 g/mol
Exact Mass402.19
IUPAC Nametetrakis(butan-1-ol);oxozirconium
SMILESCCCCO.CCCCO.CCCCO.CCCCO.O=[Zr]
InChIInChI=1S/4C4H10O.O.Zr/c4*1-2-3-4-5;;/h4*5H,2-4H2,1H3;;
InChIKeyWYWKLNVWYUPFNK-UHFFFAOYSA-N
XLogP2.99
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.72
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

butan-1-ol
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(1,2,3,4-13C4)butan-1-ol
CID 71309697
aluminum;butan-1-ol;trinitrate
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butan-1-ol;nickel
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sodium butan-1-ol
CID 19366054
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635

Frequently Asked Questions

What is the IUPAC name of tetrakis(butan-1-ol);oxozirconium?
The IUPAC name of tetrakis(butan-1-ol);oxozirconium (CID 173370140) is tetrakis(butan-1-ol);oxozirconium.
What is the SMILES notation for tetrakis(butan-1-ol);oxozirconium?
The canonical SMILES for tetrakis(butan-1-ol);oxozirconium is CCCCO.CCCCO.CCCCO.CCCCO.O=[Zr].
What is the InChIKey of tetrakis(butan-1-ol);oxozirconium?
The InChIKey is WYWKLNVWYUPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10O.O.Zr/c4*1-2-3-4-5;;/h4*5H,2-4H2,1H3;;.
What are the key properties of tetrakis(butan-1-ol);oxozirconium?
tetrakis(butan-1-ol);oxozirconium has a molecular weight of 403.72 g/mol, XLogP of 2.99, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butan-1-ol);oxozirconium is sourced from PubChem (CID 173370140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).