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

C10H16O2S — CID 143095546

IUPACethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate
SMILESCCOC(=O)C1C=C(CC)SC1C
InChIInChI=1S/C10H16O2S/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h6-7,9H,4-5H2,1-3H3
InChIKeyWORSCEFZMODGJY-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.59
Rot. Bonds3

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

ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate (PubChem CID 143095546) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate
PubChem CID143095546
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Nameethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate
SMILESCCOC(=O)C1C=C(CC)SC1C
InChIInChI=1S/C10H16O2S/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h6-7,9H,4-5H2,1-3H3
InChIKeyWORSCEFZMODGJY-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate (CID 143095546) is ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate is CCOC(=O)C1C=C(CC)SC1C.
What is the InChIKey of ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate?
The InChIKey is WORSCEFZMODGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h6-7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate?
ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-methyl-2,3-dihydrothiophene-3-carboxylate is sourced from PubChem (CID 143095546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).