2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene

C11H20S — CID 123173850

IUPAC2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1SC(C)=C(C(C)C)C1C
InChIInChI=1S/C11H20S/c1-6-10-8(4)11(7(2)3)9(5)12-10/h7-8,10H,6H2,1-5H3
InChIKeyWWSRESFWFMEKOI-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.08
Rot. Bonds2

About 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene

2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene (PubChem CID 123173850) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene
PubChem CID123173850
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1SC(C)=C(C(C)C)C1C
InChIInChI=1S/C11H20S/c1-6-10-8(4)11(7(2)3)9(5)12-10/h7-8,10H,6H2,1-5H3
InChIKeyWWSRESFWFMEKOI-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetramethyl(2-methylthioethyl)cyclopentadiene
CID 15769687
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
1-Butyl-2-butylsulfanyl-3-methyl-6-propan-2-ylcyclohexene
CID 12627278
3-Methyl-1,4,5,6,7,7a-hexahydro-benzo[c]thiophene
CID 14026315
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
5-Isopropenyl-2-methyl-1,3-di(ethylthio)-cyclohex-1-ene
CID 129819438
3,4,5-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988752
(2Z)-2-heptan-3-ylidenethiolane
CID 134996419
(2E)-2-heptan-3-ylidenethiolane
CID 135075642
7,8-Dimethyl-5-thiaspiro[3.5]non-7-ene
CID 146167573
4,7,7-Trimethyl-6-thiabicyclo[3.2.1]oct-4-ene
CID 71362402

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene (CID 123173850) is 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene is CCC1SC(C)=C(C(C)C)C1C.
What is the InChIKey of 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is WWSRESFWFMEKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-6-10-8(4)11(7(2)3)9(5)12-10/h7-8,10H,6H2,1-5H3.
What are the key properties of 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene?
2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 184.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 123173850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).