zinc;ethane;hexane;pentan-1-ol

C13H30OZn — CID 174766850

IUPACzinc;ethane;hexane;pentan-1-ol
SMILESCCCCCO.[CH2-]C.[CH2-]CCCCC.[Zn+2]
InChIInChI=1S/C6H13.C5H12O.C2H5.Zn/c1-3-5-6-4-2;1-2-3-4-5-6;1-2;/h1,3-6H2,2H3;6H,2-5H2,1H3;1H2,2H3;/q-1;;-1;+2
InChIKeyZHCWLMCLAZGCIK-UHFFFAOYSA-N
MW267.77 g/mol
LogP4.41
Rot. Bonds6

About zinc;ethane;hexane;pentan-1-ol

zinc;ethane;hexane;pentan-1-ol (PubChem CID 174766850) has the molecular formula C13H30OZn and a molecular weight of 267.77 g/mol. Its IUPAC name is zinc;ethane;hexane;pentan-1-ol.

Molecular Properties

Compound Namezinc;ethane;hexane;pentan-1-ol
PubChem CID174766850
Molecular FormulaC13H30OZn
Molecular Weight267.77 g/mol
Exact Mass266.16
IUPAC Namezinc;ethane;hexane;pentan-1-ol
SMILESCCCCCO.[CH2-]C.[CH2-]CCCCC.[Zn+2]
InChIInChI=1S/C6H13.C5H12O.C2H5.Zn/c1-3-5-6-4-2;1-2-3-4-5-6;1-2;/h1,3-6H2,2H3;6H,2-5H2,1H3;1H2,2H3;/q-1;;-1;+2
InChIKeyZHCWLMCLAZGCIK-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of zinc;ethane;hexane;pentan-1-ol?
The IUPAC name of zinc;ethane;hexane;pentan-1-ol (CID 174766850) is zinc;ethane;hexane;pentan-1-ol.
What is the SMILES notation for zinc;ethane;hexane;pentan-1-ol?
The canonical SMILES for zinc;ethane;hexane;pentan-1-ol is CCCCCO.[CH2-]C.[CH2-]CCCCC.[Zn+2].
What is the InChIKey of zinc;ethane;hexane;pentan-1-ol?
The InChIKey is ZHCWLMCLAZGCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C5H12O.C2H5.Zn/c1-3-5-6-4-2;1-2-3-4-5-6;1-2;/h1,3-6H2,2H3;6H,2-5H2,1H3;1H2,2H3;/q-1;;-1;+2.
What are the key properties of zinc;ethane;hexane;pentan-1-ol?
zinc;ethane;hexane;pentan-1-ol has a molecular weight of 267.77 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;hexane;pentan-1-ol is sourced from PubChem (CID 174766850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).