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

C10H18S — CID 137466679

IUPAC5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1=C(C)C(C(C)C)CS1
InChIInChI=1S/C10H18S/c1-5-10-8(4)9(6-11-10)7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyHJARZHASHFJVRX-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.69
Rot. Bonds2

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

5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene (PubChem CID 137466679) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene
PubChem CID137466679
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1=C(C)C(C(C)C)CS1
InChIInChI=1S/C10H18S/c1-5-10-8(4)9(6-11-10)7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyHJARZHASHFJVRX-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene (CID 137466679) is 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene is CCC1=C(C)C(C(C)C)CS1.
What is the InChIKey of 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is HJARZHASHFJVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-5-10-8(4)9(6-11-10)7(2)3/h7,9H,5-6H2,1-4H3.
What are the key properties of 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene?
5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 170.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-3-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 137466679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).