hexacosane;octacosane

C54H112 — CID 158944700

IUPAChexacosane;octacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H58.C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3;3-26H2,1-2H3
InChIKeyJKRFXQLJHPSZHA-UHFFFAOYSA-N
MW761.49 g/mol
LogP21.56
Rot. Bonds48

About hexacosane;octacosane

hexacosane;octacosane (PubChem CID 158944700) has the molecular formula C54H112 and a molecular weight of 761.49 g/mol. Its IUPAC name is hexacosane;octacosane.

Molecular Properties

Compound Namehexacosane;octacosane
PubChem CID158944700
Molecular FormulaC54H112
Molecular Weight761.49 g/mol
Exact Mass760.88
IUPAC Namehexacosane;octacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H58.C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3;3-26H2,1-2H3
InChIKeyJKRFXQLJHPSZHA-UHFFFAOYSA-N
XLogP21.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.49
LogP ≤ 521.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexacosane;octacosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of hexacosane;octacosane?
The IUPAC name of hexacosane;octacosane (CID 158944700) is hexacosane;octacosane.
What is the SMILES notation for hexacosane;octacosane?
The canonical SMILES for hexacosane;octacosane is CCCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of hexacosane;octacosane?
The InChIKey is JKRFXQLJHPSZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58.C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3;3-26H2,1-2H3.
What are the key properties of hexacosane;octacosane?
hexacosane;octacosane has a molecular weight of 761.49 g/mol, XLogP of 21.56, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosane;octacosane is sourced from PubChem (CID 158944700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).