3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene

C11H20S — CID 89084660

IUPAC3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene
SMILESCCCCC1C=C(CC)SC1C
InChIInChI=1S/C11H20S/c1-4-6-7-10-8-11(5-2)12-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyVXYJKJGECVMWKG-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.22
Rot. Bonds4

About 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene

3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene (PubChem CID 89084660) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene
PubChem CID89084660
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene
SMILESCCCCC1C=C(CC)SC1C
InChIInChI=1S/C11H20S/c1-4-6-7-10-8-11(5-2)12-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyVXYJKJGECVMWKG-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene?
The IUPAC name of 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene (CID 89084660) is 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene?
The canonical SMILES for 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene is CCCCC1C=C(CC)SC1C.
What is the InChIKey of 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene?
The InChIKey is VXYJKJGECVMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-4-6-7-10-8-11(5-2)12-9(10)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene?
3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene has a molecular weight of 184.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-ethyl-2-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 89084660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).