2-(5-ethylicosyl)-3-methyloxirane

C25H50O — CID 123198563

IUPAC2-(5-ethylicosyl)-3-methyloxirane
SMILESCCCCCCCCCCCCCCCC(CC)CCCCC1OC1C
InChIInChI=1S/C25H50O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-24(5-2)21-18-19-22-25-23(3)26-25/h23-25H,4-22H2,1-3H3
InChIKeySGRJHTGULDGYIT-UHFFFAOYSA-N
MW366.67 g/mol
LogP8.84
Rot. Bonds20

About 2-(5-ethylicosyl)-3-methyloxirane

2-(5-ethylicosyl)-3-methyloxirane (PubChem CID 123198563) has the molecular formula C25H50O and a molecular weight of 366.67 g/mol. Its IUPAC name is 2-(5-ethylicosyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(5-ethylicosyl)-3-methyloxirane
PubChem CID123198563
Molecular FormulaC25H50O
Molecular Weight366.67 g/mol
Exact Mass366.39
IUPAC Name2-(5-ethylicosyl)-3-methyloxirane
SMILESCCCCCCCCCCCCCCCC(CC)CCCCC1OC1C
InChIInChI=1S/C25H50O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-24(5-2)21-18-19-22-25-23(3)26-25/h23-25H,4-22H2,1-3H3
InChIKeySGRJHTGULDGYIT-UHFFFAOYSA-N
XLogP8.84
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 58.84
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'}

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Related Compounds

(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylicosyl)-3-methyloxirane?
The IUPAC name of 2-(5-ethylicosyl)-3-methyloxirane (CID 123198563) is 2-(5-ethylicosyl)-3-methyloxirane.
What is the SMILES notation for 2-(5-ethylicosyl)-3-methyloxirane?
The canonical SMILES for 2-(5-ethylicosyl)-3-methyloxirane is CCCCCCCCCCCCCCCC(CC)CCCCC1OC1C.
What is the InChIKey of 2-(5-ethylicosyl)-3-methyloxirane?
The InChIKey is SGRJHTGULDGYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-24(5-2)21-18-19-22-25-23(3)26-25/h23-25H,4-22H2,1-3H3.
What are the key properties of 2-(5-ethylicosyl)-3-methyloxirane?
2-(5-ethylicosyl)-3-methyloxirane has a molecular weight of 366.67 g/mol, XLogP of 8.84, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylicosyl)-3-methyloxirane is sourced from PubChem (CID 123198563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).