4-ethoxy-1-thiophen-2-ylheptan-3-one

C13H20O2S — CID 116707732

IUPAC4-ethoxy-1-thiophen-2-ylheptan-3-one
SMILESCCCC(OCC)C(=O)CCc1cccs1
InChIInChI=1S/C13H20O2S/c1-3-6-13(15-4-2)12(14)9-8-11-7-5-10-16-11/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKeyHGYYYWUJYRBHKX-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.45
Rot. Bonds8

About 4-ethoxy-1-thiophen-2-ylheptan-3-one

4-ethoxy-1-thiophen-2-ylheptan-3-one (PubChem CID 116707732) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-ethoxy-1-thiophen-2-ylheptan-3-one.

Molecular Properties

Compound Name4-ethoxy-1-thiophen-2-ylheptan-3-one
PubChem CID116707732
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name4-ethoxy-1-thiophen-2-ylheptan-3-one
SMILESCCCC(OCC)C(=O)CCc1cccs1
InChIInChI=1S/C13H20O2S/c1-3-6-13(15-4-2)12(14)9-8-11-7-5-10-16-11/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKeyHGYYYWUJYRBHKX-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-thiophen-2-ylhexan-3-one
CID 116707110
3-methoxy-1-thiophen-2-ylhexan-2-one
CID 116708019
(5S)-5-amino-1-thiophen-2-ylnonan-4-one
CID 15298316
ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
CID 61342753
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
5-oxooctan-4-yl thiophene-2-carboxylate
CID 86024125
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-thiophen-2-ylheptan-3-one?
The IUPAC name of 4-ethoxy-1-thiophen-2-ylheptan-3-one (CID 116707732) is 4-ethoxy-1-thiophen-2-ylheptan-3-one.
What is the SMILES notation for 4-ethoxy-1-thiophen-2-ylheptan-3-one?
The canonical SMILES for 4-ethoxy-1-thiophen-2-ylheptan-3-one is CCCC(OCC)C(=O)CCc1cccs1.
What is the InChIKey of 4-ethoxy-1-thiophen-2-ylheptan-3-one?
The InChIKey is HGYYYWUJYRBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-3-6-13(15-4-2)12(14)9-8-11-7-5-10-16-11/h5,7,10,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 4-ethoxy-1-thiophen-2-ylheptan-3-one?
4-ethoxy-1-thiophen-2-ylheptan-3-one has a molecular weight of 240.37 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-thiophen-2-ylheptan-3-one is sourced from PubChem (CID 116707732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).