5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene

C15H28S — CID 126658211

IUPAC5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene
SMILESCCC1CSC(C(C)(C)C)=C1C(C)(C)CC
InChIInChI=1S/C15H28S/c1-8-11-10-16-13(14(3,4)5)12(11)15(6,7)9-2/h11H,8-10H2,1-7H3
InChIKeyRWXHQSZUORZTQN-UHFFFAOYSA-N
MW240.46 g/mol
LogP5.50
Rot. Bonds3

About 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene

5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene (PubChem CID 126658211) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene
PubChem CID126658211
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene
SMILESCCC1CSC(C(C)(C)C)=C1C(C)(C)CC
InChIInChI=1S/C15H28S/c1-8-11-10-16-13(14(3,4)5)12(11)15(6,7)9-2/h11H,8-10H2,1-7H3
InChIKeyRWXHQSZUORZTQN-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene (CID 126658211) is 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene is CCC1CSC(C(C)(C)C)=C1C(C)(C)CC.
What is the InChIKey of 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene?
The InChIKey is RWXHQSZUORZTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S/c1-8-11-10-16-13(14(3,4)5)12(11)15(6,7)9-2/h11H,8-10H2,1-7H3.
What are the key properties of 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene?
5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene has a molecular weight of 240.46 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 126658211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).