hexacosane-1,8,19,26-tetrol

C26H54O4 — CID 167004997

IUPAChexacosane-1,8,19,26-tetrol
SMILESOCCCCCCCC(O)CCCCCCCCCCC(O)CCCCCCCO
InChIInChI=1S/C26H54O4/c27-23-17-11-5-9-15-21-25(29)19-13-7-3-1-2-4-8-14-20-26(30)22-16-10-6-12-18-24-28/h25-30H,1-24H2
InChIKeyKVPLDIWEGXUBOQ-UHFFFAOYSA-N
MW430.71 g/mol
LogP6.28
Rot. Bonds25

About hexacosane-1,8,19,26-tetrol

hexacosane-1,8,19,26-tetrol (PubChem CID 167004997) has the molecular formula C26H54O4 and a molecular weight of 430.71 g/mol. Its IUPAC name is hexacosane-1,8,19,26-tetrol.

Molecular Properties

Compound Namehexacosane-1,8,19,26-tetrol
PubChem CID167004997
Molecular FormulaC26H54O4
Molecular Weight430.71 g/mol
Exact Mass430.40
IUPAC Namehexacosane-1,8,19,26-tetrol
SMILESOCCCCCCCC(O)CCCCCCCCCCC(O)CCCCCCCO
InChIInChI=1S/C26H54O4/c27-23-17-11-5-9-15-21-25(29)19-13-7-3-1-2-4-8-14-20-26(30)22-16-10-6-12-18-24-28/h25-30H,1-24H2
InChIKeyKVPLDIWEGXUBOQ-UHFFFAOYSA-N
XLogP6.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 56.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptacosane-1,10,27-triol
CID 56980866
hexadecane-1,8,16-triol
CID 11403100
tridecane-1,4,13-triol
CID 90439734
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
icosane-1,11-diol
CID 56976881
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922
17-methyloctadecane-1,11-diol
CID 91311361
docosane-1,11-diol
CID 54487610

Frequently Asked Questions

What is the IUPAC name of hexacosane-1,8,19,26-tetrol?
The IUPAC name of hexacosane-1,8,19,26-tetrol (CID 167004997) is hexacosane-1,8,19,26-tetrol.
What is the SMILES notation for hexacosane-1,8,19,26-tetrol?
The canonical SMILES for hexacosane-1,8,19,26-tetrol is OCCCCCCCC(O)CCCCCCCCCCC(O)CCCCCCCO.
What is the InChIKey of hexacosane-1,8,19,26-tetrol?
The InChIKey is KVPLDIWEGXUBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O4/c27-23-17-11-5-9-15-21-25(29)19-13-7-3-1-2-4-8-14-20-26(30)22-16-10-6-12-18-24-28/h25-30H,1-24H2.
What are the key properties of hexacosane-1,8,19,26-tetrol?
hexacosane-1,8,19,26-tetrol has a molecular weight of 430.71 g/mol, XLogP of 6.28, 25 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosane-1,8,19,26-tetrol is sourced from PubChem (CID 167004997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).