4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one

C13H20O2S — CID 116708679

IUPAC4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
SMILESCCOC(C(=O)CCc1ccsc1)C(C)C
InChIInChI=1S/C13H20O2S/c1-4-15-13(10(2)3)12(14)6-5-11-7-8-16-9-11/h7-10,13H,4-6H2,1-3H3
InChIKeyHAOBAOKEEDBSCL-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.31
Rot. Bonds7

About 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one

4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one (PubChem CID 116708679) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one.

Molecular Properties

Compound Name4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
PubChem CID116708679
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
SMILESCCOC(C(=O)CCc1ccsc1)C(C)C
InChIInChI=1S/C13H20O2S/c1-4-15-13(10(2)3)12(14)6-5-11-7-8-16-9-11/h7-10,13H,4-6H2,1-3H3
InChIKeyHAOBAOKEEDBSCL-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one
CID 116593795
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110
N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974767
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
3-(propan-2-yloxymethyl)thiophene
CID 146745191
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one?
The IUPAC name of 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one (CID 116708679) is 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one.
What is the SMILES notation for 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one?
The canonical SMILES for 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one is CCOC(C(=O)CCc1ccsc1)C(C)C.
What is the InChIKey of 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one?
The InChIKey is HAOBAOKEEDBSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-4-15-13(10(2)3)12(14)6-5-11-7-8-16-9-11/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one?
4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one has a molecular weight of 240.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one is sourced from PubChem (CID 116708679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).