ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate

C10H16O2S — CID 10013036

IUPACethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate
SMILESCCCC1=C(C(=O)OCC)CCS1
InChIInChI=1S/C10H16O2S/c1-3-5-9-8(6-7-13-9)10(11)12-4-2/h3-7H2,1-2H3
InChIKeySXTOLQLHXLFAAY-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.74
Rot. Bonds4

About ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate

ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate (PubChem CID 10013036) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate
PubChem CID10013036
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Nameethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate
SMILESCCCC1=C(C(=O)OCC)CCS1
InChIInChI=1S/C10H16O2S/c1-3-5-9-8(6-7-13-9)10(11)12-4-2/h3-7H2,1-2H3
InChIKeySXTOLQLHXLFAAY-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
The IUPAC name of ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate (CID 10013036) is ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate.
What is the SMILES notation for ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
The canonical SMILES for ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate is CCCC1=C(C(=O)OCC)CCS1.
What is the InChIKey of ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
The InChIKey is SXTOLQLHXLFAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-3-5-9-8(6-7-13-9)10(11)12-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate?
ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propyl-2,3-dihydrothiophene-4-carboxylate is sourced from PubChem (CID 10013036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).