1-chloropentane;zirconium;octahydrate

C5H27ClO8Zr — CID 175544911

IUPAC1-chloropentane;zirconium;octahydrate
SMILESCCCCCCl.O.O.O.O.O.O.O.O.[Zr]
InChIInChI=1S/C5H11Cl.8H2O.Zr/c1-2-3-4-5-6;;;;;;;;;/h2-5H2,1H3;8*1H2;
InChIKeyPOJLVPDREOPNLJ-UHFFFAOYSA-N
MW341.94 g/mol
LogP-4.18
Rot. Bonds3

About 1-chloropentane;zirconium;octahydrate

1-chloropentane;zirconium;octahydrate (PubChem CID 175544911) has the molecular formula C5H27ClO8Zr and a molecular weight of 341.94 g/mol. Its IUPAC name is 1-chloropentane;zirconium;octahydrate.

Molecular Properties

Compound Name1-chloropentane;zirconium;octahydrate
PubChem CID175544911
Molecular FormulaC5H27ClO8Zr
Molecular Weight341.94 g/mol
Exact Mass340.04
IUPAC Name1-chloropentane;zirconium;octahydrate
SMILESCCCCCCl.O.O.O.O.O.O.O.O.[Zr]
InChIInChI=1S/C5H11Cl.8H2O.Zr/c1-2-3-4-5-6;;;;;;;;;/h2-5H2,1H3;8*1H2;
InChIKeyPOJLVPDREOPNLJ-UHFFFAOYSA-N
XLogP-4.18
TPSA252.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.94
LogP ≤ 5-4.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

alumane;1-chloropentane;hydrate
CID 173313037
azane;1-chlorohexadecane;hydrate
CID 174801150
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
1-chloropentane;methylphosphane
CID 174465004
CID 87162953
CID 87162953
1-chloropentane;2-methylpropane
CID 174338226
1-chloropentane;cyclooctane
CID 174650189

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;zirconium;octahydrate?
The IUPAC name of 1-chloropentane;zirconium;octahydrate (CID 175544911) is 1-chloropentane;zirconium;octahydrate.
What is the SMILES notation for 1-chloropentane;zirconium;octahydrate?
The canonical SMILES for 1-chloropentane;zirconium;octahydrate is CCCCCCl.O.O.O.O.O.O.O.O.[Zr].
What is the InChIKey of 1-chloropentane;zirconium;octahydrate?
The InChIKey is POJLVPDREOPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.8H2O.Zr/c1-2-3-4-5-6;;;;;;;;;/h2-5H2,1H3;8*1H2;.
What are the key properties of 1-chloropentane;zirconium;octahydrate?
1-chloropentane;zirconium;octahydrate has a molecular weight of 341.94 g/mol, XLogP of -4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;zirconium;octahydrate is sourced from PubChem (CID 175544911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).