5-icosyliminopent-2-ene-1,3-diol

C25H49NO2 — CID 175057844

IUPAC5-icosyliminopent-2-ene-1,3-diol
SMILESCCCCCCCCCCCCCCCCCCCC/N=C/CC(O)=CCO
InChIInChI=1S/C25H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-25(28)21-24-27/h21,23,27-28H,2-20,22,24H2,1H3/b25-21?,26-23+
InChIKeyAOZUVCJDPRLWFG-BKTCYKECSA-N
MW395.67 g/mol
LogP7.92
Rot. Bonds22

About 5-icosyliminopent-2-ene-1,3-diol

5-icosyliminopent-2-ene-1,3-diol (PubChem CID 175057844) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 5-icosyliminopent-2-ene-1,3-diol.

Molecular Properties

Compound Name5-icosyliminopent-2-ene-1,3-diol
PubChem CID175057844
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name5-icosyliminopent-2-ene-1,3-diol
SMILESCCCCCCCCCCCCCCCCCCCC/N=C/CC(O)=CCO
InChIInChI=1S/C25H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-25(28)21-24-27/h21,23,27-28H,2-20,22,24H2,1H3/b25-21?,26-23+
InChIKeyAOZUVCJDPRLWFG-BKTCYKECSA-N
XLogP7.92
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;3-nonyliminopropanoic acid;propanoic acid
CID 174050378
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
2-[bis(2-hydroxyethyl)amino]ethanol;3-dodecyliminopropanoic acid;propanoic acid
CID 175594555
5-hexylimino-2-methylpent-2-enoic acid
CID 175013194
2-tetradecyliminoacetic acid
CID 88692071
2-methyl-N-pentylprop-2-en-1-imine
CID 169090203
2-(hexylideneamino)ethanol
CID 130130159
lithium;N-hexylethanimine;hydride
CID 174719664

Frequently Asked Questions

What is the IUPAC name of 5-icosyliminopent-2-ene-1,3-diol?
The IUPAC name of 5-icosyliminopent-2-ene-1,3-diol (CID 175057844) is 5-icosyliminopent-2-ene-1,3-diol.
What is the SMILES notation for 5-icosyliminopent-2-ene-1,3-diol?
The canonical SMILES for 5-icosyliminopent-2-ene-1,3-diol is CCCCCCCCCCCCCCCCCCCC/N=C/CC(O)=CCO.
What is the InChIKey of 5-icosyliminopent-2-ene-1,3-diol?
The InChIKey is AOZUVCJDPRLWFG-BKTCYKECSA-N. The full InChI is InChI=1S/C25H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-25(28)21-24-27/h21,23,27-28H,2-20,22,24H2,1H3/b25-21?,26-23+.
What are the key properties of 5-icosyliminopent-2-ene-1,3-diol?
5-icosyliminopent-2-ene-1,3-diol has a molecular weight of 395.67 g/mol, XLogP of 7.92, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-icosyliminopent-2-ene-1,3-diol is sourced from PubChem (CID 175057844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).