3-(2-ethylhexoxy)-4-methylthiophene

C13H22OS — CID 23049597

IUPAC3-(2-ethylhexoxy)-4-methylthiophene
SMILESCCCCC(CC)COc1cscc1C
InChIInChI=1S/C13H22OS/c1-4-6-7-12(5-2)8-14-13-10-15-9-11(13)3/h9-10,12H,4-8H2,1-3H3
InChIKeyDQLNPADDPKVGGH-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.65
Rot. Bonds7

About 3-(2-ethylhexoxy)-4-methylthiophene

3-(2-ethylhexoxy)-4-methylthiophene (PubChem CID 23049597) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-4-methylthiophene.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-4-methylthiophene
PubChem CID23049597
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name3-(2-ethylhexoxy)-4-methylthiophene
SMILESCCCCC(CC)COc1cscc1C
InChIInChI=1S/C13H22OS/c1-4-6-7-12(5-2)8-14-13-10-15-9-11(13)3/h9-10,12H,4-8H2,1-3H3
InChIKeyDQLNPADDPKVGGH-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
3-decoxy-4-methylthiophene
CID 86002875
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
[4-(2-ethylhexoxy)-3-methylphenyl]boronic acid
CID 63549557
2-bromo-4-(2-ethylhexoxy)thiophene-3-carbaldehyde
CID 175514195
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
14,15-bis(2-ethylhexoxy)-4,9-dimethyl-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
CID 90361979
2-[3-cyano-4-[(2S)-2-ethylhexoxy]thiophen-2-yl]-4-[(2R)-2-ethylhexoxy]thiophene-3-carbonitrile
CID 139037210
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)-4-methylthiophene?
The IUPAC name of 3-(2-ethylhexoxy)-4-methylthiophene (CID 23049597) is 3-(2-ethylhexoxy)-4-methylthiophene.
What is the SMILES notation for 3-(2-ethylhexoxy)-4-methylthiophene?
The canonical SMILES for 3-(2-ethylhexoxy)-4-methylthiophene is CCCCC(CC)COc1cscc1C.
What is the InChIKey of 3-(2-ethylhexoxy)-4-methylthiophene?
The InChIKey is DQLNPADDPKVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-4-6-7-12(5-2)8-14-13-10-15-9-11(13)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-(2-ethylhexoxy)-4-methylthiophene?
3-(2-ethylhexoxy)-4-methylthiophene has a molecular weight of 226.38 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-4-methylthiophene is sourced from PubChem (CID 23049597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).