octan-1-ol;sulfuric acid;zinc

C8H20O5SZn — CID 174737842

IUPACoctan-1-ol;sulfuric acid;zinc
SMILESCCCCCCCCO.O=S(=O)(O)O.[Zn]
InChIInChI=1S/C8H18O.H2O4S.Zn/c1-2-3-4-5-6-7-8-9;1-5(2,3)4;/h9H,2-8H2,1H3;(H2,1,2,3,4);
InChIKeyBBAXHRIWSDGIQF-UHFFFAOYSA-N
MW293.70 g/mol
LogP1.68
Rot. Bonds6

About octan-1-ol;sulfuric acid;zinc

octan-1-ol;sulfuric acid;zinc (PubChem CID 174737842) has the molecular formula C8H20O5SZn and a molecular weight of 293.70 g/mol. Its IUPAC name is octan-1-ol;sulfuric acid;zinc.

Molecular Properties

Compound Nameoctan-1-ol;sulfuric acid;zinc
PubChem CID174737842
Molecular FormulaC8H20O5SZn
Molecular Weight293.70 g/mol
Exact Mass292.03
IUPAC Nameoctan-1-ol;sulfuric acid;zinc
SMILESCCCCCCCCO.O=S(=O)(O)O.[Zn]
InChIInChI=1S/C8H18O.H2O4S.Zn/c1-2-3-4-5-6-7-8-9;1-5(2,3)4;/h9H,2-8H2,1H3;(H2,1,2,3,4);
InChIKeyBBAXHRIWSDGIQF-UHFFFAOYSA-N
XLogP1.68
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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magnesium;dodecan-1-ol;hydride;sulfuric acid
CID 174836259
sodium;dodecan-1-ol;hydride;sulfuric acid;hydrate
CID 173456985
sodium;hydride;pentan-1-ol;sulfuric acid
CID 175097757
sulfuric acid;tridecane
CID 91872702
octakis(octan-1-ol);zinc
CID 175851316
sodium;sulfuric acid;tetradecane
CID 170922474
undecan-1-ol
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octan-1-ol;pentane-1,5-diol
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Frequently Asked Questions

What is the IUPAC name of octan-1-ol;sulfuric acid;zinc?
The IUPAC name of octan-1-ol;sulfuric acid;zinc (CID 174737842) is octan-1-ol;sulfuric acid;zinc.
What is the SMILES notation for octan-1-ol;sulfuric acid;zinc?
The canonical SMILES for octan-1-ol;sulfuric acid;zinc is CCCCCCCCO.O=S(=O)(O)O.[Zn].
What is the InChIKey of octan-1-ol;sulfuric acid;zinc?
The InChIKey is BBAXHRIWSDGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.H2O4S.Zn/c1-2-3-4-5-6-7-8-9;1-5(2,3)4;/h9H,2-8H2,1H3;(H2,1,2,3,4);.
What are the key properties of octan-1-ol;sulfuric acid;zinc?
octan-1-ol;sulfuric acid;zinc has a molecular weight of 293.70 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-ol;sulfuric acid;zinc is sourced from PubChem (CID 174737842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).