ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate

C13H24O3S — CID 143276206

IUPACethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
SMILESCC.CC.CCOC(=O)c1ccc(C(C)O)s1
InChIInChI=1S/C9H12O3S.2C2H6/c1-3-12-9(11)8-5-4-7(13-8)6(2)10;2*1-2/h4-6,10H,3H2,1-2H3;2*1-2H3
InChIKeyQPUQZPKXHLAIFJ-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.03
Rot. Bonds3

About ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate

ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate (PubChem CID 143276206) has the molecular formula C13H24O3S and a molecular weight of 260.40 g/mol. Its IUPAC name is ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
PubChem CID143276206
Molecular FormulaC13H24O3S
Molecular Weight260.40 g/mol
Exact Mass260.14
IUPAC Nameethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
SMILESCC.CC.CCOC(=O)c1ccc(C(C)O)s1
InChIInChI=1S/C9H12O3S.2C2H6/c1-3-12-9(11)8-5-4-7(13-8)6(2)10;2*1-2/h4-6,10H,3H2,1-2H3;2*1-2H3
InChIKeyQPUQZPKXHLAIFJ-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate?
The IUPAC name of ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate (CID 143276206) is ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate.
What is the SMILES notation for ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate?
The canonical SMILES for ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate is CC.CC.CCOC(=O)c1ccc(C(C)O)s1.
What is the InChIKey of ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate?
The InChIKey is QPUQZPKXHLAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S.2C2H6/c1-3-12-9(11)8-5-4-7(13-8)6(2)10;2*1-2/h4-6,10H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate?
ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate has a molecular weight of 260.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate is sourced from PubChem (CID 143276206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).