tetracosane-1,19-diol

C24H50O2 — CID 175364022

IUPACtetracosane-1,19-diol
SMILESCCCCCC(O)CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C24H50O2/c1-2-3-18-21-24(26)22-19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23-25/h24-26H,2-23H2,1H3
InChIKeyISNRBPUBTSZILI-UHFFFAOYSA-N
MW370.66 g/mol
LogP7.55
Rot. Bonds22

About tetracosane-1,19-diol

tetracosane-1,19-diol (PubChem CID 175364022) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is tetracosane-1,19-diol.

Molecular Properties

Compound Nametetracosane-1,19-diol
PubChem CID175364022
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Nametetracosane-1,19-diol
SMILESCCCCCC(O)CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C24H50O2/c1-2-3-18-21-24(26)22-19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23-25/h24-26H,2-23H2,1H3
InChIKeyISNRBPUBTSZILI-UHFFFAOYSA-N
XLogP7.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 57.55
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

heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
icosane-1,9-diol
CID 22758044
docosane-1,11-diol
CID 54487610
heptadecane-1,11-diol
CID 130297922
icosane-1,11-diol
CID 56976881
(9R)-octadecane-1,9-diol
CID 10968142
(4S)-undecane-1,4-diol
CID 98092447
decane-1,10-diol;nonane-1,2-diol
CID 174889231
tetradecane-1,11-diol
CID 11390599
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of tetracosane-1,19-diol?
The IUPAC name of tetracosane-1,19-diol (CID 175364022) is tetracosane-1,19-diol.
What is the SMILES notation for tetracosane-1,19-diol?
The canonical SMILES for tetracosane-1,19-diol is CCCCCC(O)CCCCCCCCCCCCCCCCCCO.
What is the InChIKey of tetracosane-1,19-diol?
The InChIKey is ISNRBPUBTSZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-2-3-18-21-24(26)22-19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23-25/h24-26H,2-23H2,1H3.
What are the key properties of tetracosane-1,19-diol?
tetracosane-1,19-diol has a molecular weight of 370.66 g/mol, XLogP of 7.55, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosane-1,19-diol is sourced from PubChem (CID 175364022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).