tricosane-1,23-diol

C23H48O2 — CID 25144332

IUPACtricosane-1,23-diol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C23H48O2/c24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25/h24-25H,1-23H2
InChIKeyFNXRYHQLYLSSPE-UHFFFAOYSA-N
MW356.64 g/mol
LogP7.16
Rot. Bonds22

About tricosane-1,23-diol

tricosane-1,23-diol (PubChem CID 25144332) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is tricosane-1,23-diol.

Molecular Properties

Compound Nametricosane-1,23-diol
PubChem CID25144332
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Nametricosane-1,23-diol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C23H48O2/c24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25/h24-25H,1-23H2
InChIKeyFNXRYHQLYLSSPE-UHFFFAOYSA-N
XLogP7.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
CID 158555375
CID 158555375
methanediol;pentane-1,5-diol
CID 90027781
hexane-1,6-diol;hydroiodide
CID 175146639
methane;tridecane-1,13-diol
CID 174975453
butane-1,4-diol;zinc
CID 170696072
CID 157146691
CID 157146691

Frequently Asked Questions

What is the IUPAC name of tricosane-1,23-diol?
The IUPAC name of tricosane-1,23-diol (CID 25144332) is tricosane-1,23-diol.
What is the SMILES notation for tricosane-1,23-diol?
The canonical SMILES for tricosane-1,23-diol is OCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of tricosane-1,23-diol?
The InChIKey is FNXRYHQLYLSSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25/h24-25H,1-23H2.
What are the key properties of tricosane-1,23-diol?
tricosane-1,23-diol has a molecular weight of 356.64 g/mol, XLogP of 7.16, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricosane-1,23-diol is sourced from PubChem (CID 25144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).