5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene

C21H32S2 — CID 57190692

IUPAC5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene
SMILESCCCCC1CCC(C(C)c2cc3sc(CCC)cc3s2)CC1
InChIInChI=1S/C21H32S2/c1-4-6-8-16-9-11-17(12-10-16)15(3)19-14-21-20(23-19)13-18(22-21)7-5-2/h13-17H,4-12H2,1-3H3
InChIKeyHMHMFRSGZKWUKF-UHFFFAOYSA-N
MW348.62 g/mol
LogP8.02
Rot. Bonds7

About 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene

5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene (PubChem CID 57190692) has the molecular formula C21H32S2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene
PubChem CID57190692
Molecular FormulaC21H32S2
Molecular Weight348.62 g/mol
Exact Mass348.19
IUPAC Name5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene
SMILESCCCCC1CCC(C(C)c2cc3sc(CCC)cc3s2)CC1
InChIInChI=1S/C21H32S2/c1-4-6-8-16-9-11-17(12-10-16)15(3)19-14-21-20(23-19)13-18(22-21)7-5-2/h13-17H,4-12H2,1-3H3
InChIKeyHMHMFRSGZKWUKF-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(4-ethylcyclohexyl)ethyl]-2-pentylthieno[3,2-b]thiophene
CID 57137442
4-[5-[1-(4-heptylcyclohexyl)ethyl]thieno[3,2-b]thiophen-2-yl]benzonitrile
CID 57318920
4-[2-[2-(4-butylcyclohexyl)ethyl]thieno[3,2-b]thiophen-5-yl]benzonitrile
CID 18606412
2-[bromo-(4-butylcyclohexyl)methyl]-5-ethylthiophene
CID 63439010
2-[(4-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
N-[(4-butylcyclohexyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763864
3-bromo-5-[(4-butylcyclohexyl)-chloromethyl]-2-methylthiophene
CID 102835490
1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532961
1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
CID 19846789
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 63501873

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene?
The IUPAC name of 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene (CID 57190692) is 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene?
The canonical SMILES for 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene is CCCCC1CCC(C(C)c2cc3sc(CCC)cc3s2)CC1.
What is the InChIKey of 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene?
The InChIKey is HMHMFRSGZKWUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32S2/c1-4-6-8-16-9-11-17(12-10-16)15(3)19-14-21-20(23-19)13-18(22-21)7-5-2/h13-17H,4-12H2,1-3H3.
What are the key properties of 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene?
5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene has a molecular weight of 348.62 g/mol, XLogP of 8.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene is sourced from PubChem (CID 57190692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).