hexacosane;hydroiodide

C26H55I — CID 175873194

IUPAChexacosane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC.I
InChIInChI=1S/C26H54.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-26H2,1-2H3;1H
InChIKeyYBAZHJSPEOZZQU-UHFFFAOYSA-N
MW494.63 g/mol
LogP11.01
Rot. Bonds23

About hexacosane;hydroiodide

hexacosane;hydroiodide (PubChem CID 175873194) has the molecular formula C26H55I and a molecular weight of 494.63 g/mol. Its IUPAC name is hexacosane;hydroiodide.

Molecular Properties

Compound Namehexacosane;hydroiodide
PubChem CID175873194
Molecular FormulaC26H55I
Molecular Weight494.63 g/mol
Exact Mass494.33
IUPAC Namehexacosane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC.I
InChIInChI=1S/C26H54.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-26H2,1-2H3;1H
InChIKeyYBAZHJSPEOZZQU-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(heptane);dihydroiodide
CID 173372979
triacontane;hydroiodide
CID 175873189
decane;trihydroiodide
CID 172732531
heptadecane;dihydroiodide
CID 87987371
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of hexacosane;hydroiodide?
The IUPAC name of hexacosane;hydroiodide (CID 175873194) is hexacosane;hydroiodide.
What is the SMILES notation for hexacosane;hydroiodide?
The canonical SMILES for hexacosane;hydroiodide is CCCCCCCCCCCCCCCCCCCCCCCCCC.I.
What is the InChIKey of hexacosane;hydroiodide?
The InChIKey is YBAZHJSPEOZZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-26H2,1-2H3;1H.
What are the key properties of hexacosane;hydroiodide?
hexacosane;hydroiodide has a molecular weight of 494.63 g/mol, XLogP of 11.01, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosane;hydroiodide is sourced from PubChem (CID 175873194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).