2-ethyl-3-henicosyloxirane

C25H50O — CID 20501424

IUPAC2-ethyl-3-henicosyloxirane
SMILESCCCCCCCCCCCCCCCCCCCCCC1OC1CC
InChIInChI=1S/C25H50O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(4-2)26-25/h24-25H,3-23H2,1-2H3
InChIKeyZQXMHUPHFLLWQC-UHFFFAOYSA-N
MW366.67 g/mol
LogP8.99
Rot. Bonds21

About 2-ethyl-3-henicosyloxirane

2-ethyl-3-henicosyloxirane (PubChem CID 20501424) has the molecular formula C25H50O and a molecular weight of 366.67 g/mol. Its IUPAC name is 2-ethyl-3-henicosyloxirane.

Molecular Properties

Compound Name2-ethyl-3-henicosyloxirane
PubChem CID20501424
Molecular FormulaC25H50O
Molecular Weight366.67 g/mol
Exact Mass366.39
IUPAC Name2-ethyl-3-henicosyloxirane
SMILESCCCCCCCCCCCCCCCCCCCCCC1OC1CC
InChIInChI=1S/C25H50O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(4-2)26-25/h24-25H,3-23H2,1-2H3
InChIKeyZQXMHUPHFLLWQC-UHFFFAOYSA-N
XLogP8.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-henicosyloxirane 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

(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
(2R,3R)-2-(iodomethyl)-3-undecyloxirane
CID 10980657
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977
(2S,3R)-2-(bromomethyl)-3-pentyloxirane
CID 102212673
(2S)-2-(4-bromobutyl)-3-ethyloxirane
CID 160957333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-henicosyloxirane?
The IUPAC name of 2-ethyl-3-henicosyloxirane (CID 20501424) is 2-ethyl-3-henicosyloxirane.
What is the SMILES notation for 2-ethyl-3-henicosyloxirane?
The canonical SMILES for 2-ethyl-3-henicosyloxirane is CCCCCCCCCCCCCCCCCCCCCC1OC1CC.
What is the InChIKey of 2-ethyl-3-henicosyloxirane?
The InChIKey is ZQXMHUPHFLLWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(4-2)26-25/h24-25H,3-23H2,1-2H3.
What are the key properties of 2-ethyl-3-henicosyloxirane?
2-ethyl-3-henicosyloxirane has a molecular weight of 366.67 g/mol, XLogP of 8.99, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-henicosyloxirane is sourced from PubChem (CID 20501424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).