hexan-2-ol;zirconium

C6H14OZr — CID 174835617

IUPAChexan-2-ol;zirconium
SMILESCCCCC(C)O.[Zr]
InChIInChI=1S/C6H14O.Zr/c1-3-4-5-6(2)7;/h6-7H,3-5H2,1-2H3;
InChIKeyASCOLXSPOUJNTH-UHFFFAOYSA-N
MW193.40 g/mol
LogP1.55
Rot. Bonds3

About hexan-2-ol;zirconium

hexan-2-ol;zirconium (PubChem CID 174835617) has the molecular formula C6H14OZr and a molecular weight of 193.40 g/mol. Its IUPAC name is hexan-2-ol;zirconium.

Molecular Properties

Compound Namehexan-2-ol;zirconium
PubChem CID174835617
Molecular FormulaC6H14OZr
Molecular Weight193.40 g/mol
Exact Mass192.01
IUPAC Namehexan-2-ol;zirconium
SMILESCCCCC(C)O.[Zr]
InChIInChI=1S/C6H14O.Zr/c1-3-4-5-6(2)7;/h6-7H,3-5H2,1-2H3;
InChIKeyASCOLXSPOUJNTH-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexan-2-ol;zirconium?
The IUPAC name of hexan-2-ol;zirconium (CID 174835617) is hexan-2-ol;zirconium.
What is the SMILES notation for hexan-2-ol;zirconium?
The canonical SMILES for hexan-2-ol;zirconium is CCCCC(C)O.[Zr].
What is the InChIKey of hexan-2-ol;zirconium?
The InChIKey is ASCOLXSPOUJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.Zr/c1-3-4-5-6(2)7;/h6-7H,3-5H2,1-2H3;.
What are the key properties of hexan-2-ol;zirconium?
hexan-2-ol;zirconium has a molecular weight of 193.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-ol;zirconium is sourced from PubChem (CID 174835617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).