3,4-bis(3-ethylheptyl)thiophene

C22H40S — CID 134458192

IUPAC3,4-bis(3-ethylheptyl)thiophene
SMILESCCCCC(CC)CCc1cscc1CCC(CC)CCCC
InChIInChI=1S/C22H40S/c1-5-9-11-19(7-3)13-15-21-17-23-18-22(21)16-14-20(8-4)12-10-6-2/h17-20H,5-16H2,1-4H3
InChIKeyNAZZURZHAKQOMP-UHFFFAOYSA-N
MW336.63 g/mol
LogP8.05
Rot. Bonds14

About 3,4-bis(3-ethylheptyl)thiophene

3,4-bis(3-ethylheptyl)thiophene (PubChem CID 134458192) has the molecular formula C22H40S and a molecular weight of 336.63 g/mol. Its IUPAC name is 3,4-bis(3-ethylheptyl)thiophene.

Molecular Properties

Compound Name3,4-bis(3-ethylheptyl)thiophene
PubChem CID134458192
Molecular FormulaC22H40S
Molecular Weight336.63 g/mol
Exact Mass336.29
IUPAC Name3,4-bis(3-ethylheptyl)thiophene
SMILESCCCCC(CC)CCc1cscc1CCC(CC)CCCC
InChIInChI=1S/C22H40S/c1-5-9-11-19(7-3)13-15-21-17-23-18-22(21)16-14-20(8-4)12-10-6-2/h17-20H,5-16H2,1-4H3
InChIKeyNAZZURZHAKQOMP-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.63
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-bis(3-ethylheptyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethylnonane;5-propylnonane
CID 157441807
2,6-bis(3-ethylheptyl)naphthalene
CID 91473805
3-(2-ethylhexoxy)-4-methylthiophene
CID 23049597
3-(3-ethylheptyl)-2-hydroxybenzoic acid
CID 70566395
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol
CID 123669477
3-ethylundecylbenzene
CID 101046196
[3-ethyl-1-(4-methylthiophen-3-yl)heptyl]hydrazine
CID 105251746
3,6-diethylundecane
CID 22051817

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3-ethylheptyl)thiophene?
The IUPAC name of 3,4-bis(3-ethylheptyl)thiophene (CID 134458192) is 3,4-bis(3-ethylheptyl)thiophene.
What is the SMILES notation for 3,4-bis(3-ethylheptyl)thiophene?
The canonical SMILES for 3,4-bis(3-ethylheptyl)thiophene is CCCCC(CC)CCc1cscc1CCC(CC)CCCC.
What is the InChIKey of 3,4-bis(3-ethylheptyl)thiophene?
The InChIKey is NAZZURZHAKQOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40S/c1-5-9-11-19(7-3)13-15-21-17-23-18-22(21)16-14-20(8-4)12-10-6-2/h17-20H,5-16H2,1-4H3.
What are the key properties of 3,4-bis(3-ethylheptyl)thiophene?
3,4-bis(3-ethylheptyl)thiophene has a molecular weight of 336.63 g/mol, XLogP of 8.05, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3-ethylheptyl)thiophene is sourced from PubChem (CID 134458192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).