butan-1-ol;methanol;zirconium

C7H22O4Zr2 — CID 175401462

IUPACbutan-1-ol;methanol;zirconium
SMILESCCCCO.CO.CO.CO.[Zr].[Zr]
InChIInChI=1S/C4H10O.3CH4O.2Zr/c1-2-3-4-5;3*1-2;;/h5H,2-4H2,1H3;3*2H,1H3;;
InChIKeyCPHYEBROBNDSRS-UHFFFAOYSA-N
MW352.70 g/mol
LogP-0.40
Rot. Bonds2

About butan-1-ol;methanol;zirconium

butan-1-ol;methanol;zirconium (PubChem CID 175401462) has the molecular formula C7H22O4Zr2 and a molecular weight of 352.70 g/mol. Its IUPAC name is butan-1-ol;methanol;zirconium.

Molecular Properties

Compound Namebutan-1-ol;methanol;zirconium
PubChem CID175401462
Molecular FormulaC7H22O4Zr2
Molecular Weight352.70 g/mol
Exact Mass349.96
IUPAC Namebutan-1-ol;methanol;zirconium
SMILESCCCCO.CO.CO.CO.[Zr].[Zr]
InChIInChI=1S/C4H10O.3CH4O.2Zr/c1-2-3-4-5;3*1-2;;/h5H,2-4H2,1H3;3*2H,1H3;;
InChIKeyCPHYEBROBNDSRS-UHFFFAOYSA-N
XLogP-0.40
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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butan-1-ol;ethanol;zirconium
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(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;ethanol;titanium;zirconium
CID 173180305
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
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CID 19774960
butan-1-ol;cadmium
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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;methanol;zirconium?
The IUPAC name of butan-1-ol;methanol;zirconium (CID 175401462) is butan-1-ol;methanol;zirconium.
What is the SMILES notation for butan-1-ol;methanol;zirconium?
The canonical SMILES for butan-1-ol;methanol;zirconium is CCCCO.CO.CO.CO.[Zr].[Zr].
What is the InChIKey of butan-1-ol;methanol;zirconium?
The InChIKey is CPHYEBROBNDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.3CH4O.2Zr/c1-2-3-4-5;3*1-2;;/h5H,2-4H2,1H3;3*2H,1H3;;.
What are the key properties of butan-1-ol;methanol;zirconium?
butan-1-ol;methanol;zirconium has a molecular weight of 352.70 g/mol, XLogP of -0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;methanol;zirconium is sourced from PubChem (CID 175401462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).