6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one

C14H22OS — CID 64502667

IUPAC6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one
SMILESCCc1ccc(CCCC(=O)C(C)(C)C)s1
InChIInChI=1S/C14H22OS/c1-5-11-9-10-12(16-11)7-6-8-13(15)14(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyDWGUSYGDDRATEX-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.25
Rot. Bonds5

About 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one

6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one (PubChem CID 64502667) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one
PubChem CID64502667
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one
SMILESCCc1ccc(CCCC(=O)C(C)(C)C)s1
InChIInChI=1S/C14H22OS/c1-5-11-9-10-12(16-11)7-6-8-13(15)14(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyDWGUSYGDDRATEX-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)hexan-3-one
CID 43370314
2-dodecyl-5-ethylthiophene
CID 528251
2,5-diethylthiophene
CID 521294
3-(5-ethylthiophen-2-yl)-1-phenylpropan-1-one
CID 43175810
1-(5-ethylthiophen-2-yl)-4,4-dimethylpentan-2-one
CID 63892354
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
methyl 9-[5-(3-methoxy-3-oxopropyl)thiophen-2-yl]nonanoate
CID 10735941
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
2-(4-bromopentyl)-5-ethylthiophene
CID 64507801
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one?
The IUPAC name of 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one (CID 64502667) is 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one.
What is the SMILES notation for 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one?
The canonical SMILES for 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one is CCc1ccc(CCCC(=O)C(C)(C)C)s1.
What is the InChIKey of 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one?
The InChIKey is DWGUSYGDDRATEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-5-11-9-10-12(16-11)7-6-8-13(15)14(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one?
6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one has a molecular weight of 238.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one is sourced from PubChem (CID 64502667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).