dichlorozirconium;hexane;octane

C14H28Cl2Zr-4 — CID 58731078

IUPACdichlorozirconium;hexane;octane
SMILESCl[Zr]Cl.[CH2-]CC[CH-]CC.[CH2-]CC[CH-]CCCC
InChIInChI=1S/C8H16.C6H12.2ClH.Zr/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;;;/h7H,1,3-6,8H2,2H3;6H,1,3-5H2,2H3;2*1H;/q2*-2;;;+2/p-2
InChIKeyRJPQASUKMWYTQA-UHFFFAOYSA-L
MW358.51 g/mol
LogP6.59
Rot. Bonds8

About dichlorozirconium;hexane;octane

dichlorozirconium;hexane;octane (PubChem CID 58731078) has the molecular formula C14H28Cl2Zr-4 and a molecular weight of 358.51 g/mol. Its IUPAC name is dichlorozirconium;hexane;octane.

Molecular Properties

Compound Namedichlorozirconium;hexane;octane
PubChem CID58731078
Molecular FormulaC14H28Cl2Zr-4
Molecular Weight358.51 g/mol
Exact Mass356.06
IUPAC Namedichlorozirconium;hexane;octane
SMILESCl[Zr]Cl.[CH2-]CC[CH-]CC.[CH2-]CC[CH-]CCCC
InChIInChI=1S/C8H16.C6H12.2ClH.Zr/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;;;/h7H,1,3-6,8H2,2H3;6H,1,3-5H2,2H3;2*1H;/q2*-2;;;+2/p-2
InChIKeyRJPQASUKMWYTQA-UHFFFAOYSA-L
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dichlorozirconium;hexane;octane?
The IUPAC name of dichlorozirconium;hexane;octane (CID 58731078) is dichlorozirconium;hexane;octane.
What is the SMILES notation for dichlorozirconium;hexane;octane?
The canonical SMILES for dichlorozirconium;hexane;octane is Cl[Zr]Cl.[CH2-]CC[CH-]CC.[CH2-]CC[CH-]CCCC.
What is the InChIKey of dichlorozirconium;hexane;octane?
The InChIKey is RJPQASUKMWYTQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16.C6H12.2ClH.Zr/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;;;/h7H,1,3-6,8H2,2H3;6H,1,3-5H2,2H3;2*1H;/q2*-2;;;+2/p-2.
What are the key properties of dichlorozirconium;hexane;octane?
dichlorozirconium;hexane;octane has a molecular weight of 358.51 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;hexane;octane is sourced from PubChem (CID 58731078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).