2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane

C13H20OS — CID 83929453

IUPAC2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane
SMILESCCc1ccc(CC(C)C2OC2CC)s1
InChIInChI=1S/C13H20OS/c1-4-10-6-7-11(15-10)8-9(3)13-12(5-2)14-13/h6-7,9,12-13H,4-5,8H2,1-3H3
InChIKeyQKZVQHDEXGNEPZ-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.67
Rot. Bonds5

About 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane

2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane (PubChem CID 83929453) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane
PubChem CID83929453
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane
SMILESCCc1ccc(CC(C)C2OC2CC)s1
InChIInChI=1S/C13H20OS/c1-4-10-6-7-11(15-10)8-9(3)13-12(5-2)14-13/h6-7,9,12-13H,4-5,8H2,1-3H3
InChIKeyQKZVQHDEXGNEPZ-UHFFFAOYSA-N
XLogP3.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane
CID 83929451
2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane
CID 83920999
2,5-diethylthiophene
CID 521294
3-[2-(3-ethyloxiran-2-yl)propyl]phenol
CID 83930339
2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
CID 83930025
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine
CID 114899203
3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
CID 115842635
1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842355
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan
CID 166661118

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane?
The IUPAC name of 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane (CID 83929453) is 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane.
What is the SMILES notation for 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane?
The canonical SMILES for 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane is CCc1ccc(CC(C)C2OC2CC)s1.
What is the InChIKey of 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane?
The InChIKey is QKZVQHDEXGNEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-4-10-6-7-11(15-10)8-9(3)13-12(5-2)14-13/h6-7,9,12-13H,4-5,8H2,1-3H3.
What are the key properties of 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane?
2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane has a molecular weight of 224.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane is sourced from PubChem (CID 83929453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).