ethane;tris(propan-1-ol);zirconium

C11H29O3Zr- — CID 139825358

IUPACethane;tris(propan-1-ol);zirconium
SMILESCCCO.CCCO.CCCO.[CH2-]C.[Zr]
InChIInChI=1S/3C3H8O.C2H5.Zr/c3*1-2-3-4;1-2;/h3*4H,2-3H2,1H3;1H2,2H3;/q;;;-1;
InChIKeyCRGHNCCJKZRKPY-UHFFFAOYSA-N
MW300.57 g/mol
LogP2.00
Rot. Bonds3

About ethane;tris(propan-1-ol);zirconium

ethane;tris(propan-1-ol);zirconium (PubChem CID 139825358) has the molecular formula C11H29O3Zr- and a molecular weight of 300.57 g/mol. Its IUPAC name is ethane;tris(propan-1-ol);zirconium.

Molecular Properties

Compound Nameethane;tris(propan-1-ol);zirconium
PubChem CID139825358
Molecular FormulaC11H29O3Zr-
Molecular Weight300.57 g/mol
Exact Mass299.12
IUPAC Nameethane;tris(propan-1-ol);zirconium
SMILESCCCO.CCCO.CCCO.[CH2-]C.[Zr]
InChIInChI=1S/3C3H8O.C2H5.Zr/c3*1-2-3-4;1-2;/h3*4H,2-3H2,1H3;1H2,2H3;/q;;;-1;
InChIKeyCRGHNCCJKZRKPY-UHFFFAOYSA-N
XLogP2.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.57
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;tris(propan-1-ol);zirconium?
The IUPAC name of ethane;tris(propan-1-ol);zirconium (CID 139825358) is ethane;tris(propan-1-ol);zirconium.
What is the SMILES notation for ethane;tris(propan-1-ol);zirconium?
The canonical SMILES for ethane;tris(propan-1-ol);zirconium is CCCO.CCCO.CCCO.[CH2-]C.[Zr].
What is the InChIKey of ethane;tris(propan-1-ol);zirconium?
The InChIKey is CRGHNCCJKZRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8O.C2H5.Zr/c3*1-2-3-4;1-2;/h3*4H,2-3H2,1H3;1H2,2H3;/q;;;-1;.
What are the key properties of ethane;tris(propan-1-ol);zirconium?
ethane;tris(propan-1-ol);zirconium has a molecular weight of 300.57 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(propan-1-ol);zirconium is sourced from PubChem (CID 139825358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).