(2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate

C10H10O4S — CID 2997616

IUPAC(2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OC1CCOC1=O
InChIInChI=1S/C10H10O4S/c1-6-3-5-15-8(6)10(12)14-7-2-4-13-9(7)11/h3,5,7H,2,4H2,1H3
InChIKeyODYRDLFEJZIJPQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.53
Rot. Bonds2

About (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate

(2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate (PubChem CID 2997616) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate
PubChem CID2997616
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name(2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OC1CCOC1=O
InChIInChI=1S/C10H10O4S/c1-6-3-5-15-8(6)10(12)14-7-2-4-13-9(7)11/h3,5,7H,2,4H2,1H3
InChIKeyODYRDLFEJZIJPQ-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate (CID 2997616) is (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate?
The InChIKey is ODYRDLFEJZIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-6-3-5-15-8(6)10(12)14-7-2-4-13-9(7)11/h3,5,7H,2,4H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate?
(2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate has a molecular weight of 226.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2997616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).