2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene

C19H30S — CID 143775690

IUPAC2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene
SMILESCCCC1CCC(C2CCC(c3cccs3)CC2)CC1
InChIInChI=1S/C19H30S/c1-2-4-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-5-3-14-20-19/h3,5,14-18H,2,4,6-13H2,1H3
InChIKeyTVAKYXSHPZLUAR-UHFFFAOYSA-N
MW290.52 g/mol
LogP6.63
Rot. Bonds4

About 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene

2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene (PubChem CID 143775690) has the molecular formula C19H30S and a molecular weight of 290.52 g/mol. Its IUPAC name is 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene.

Molecular Properties

Compound Name2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene
PubChem CID143775690
Molecular FormulaC19H30S
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene
SMILESCCCC1CCC(C2CCC(c3cccs3)CC2)CC1
InChIInChI=1S/C19H30S/c1-2-4-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-5-3-14-20-19/h3,5,14-18H,2,4,6-13H2,1H3
InChIKeyTVAKYXSHPZLUAR-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-propylcyclohexyl)cyclohexyl]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

2-(3-thiophen-2-ylcyclopentyl)ethanamine
CID 82281950
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
(4-propylcyclohexyl)benzene
CID 155887669
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
CID 43225917
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
ethyl-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]silane
CID 123784930

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene?
The IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene (CID 143775690) is 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene.
What is the SMILES notation for 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene?
The canonical SMILES for 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene is CCCC1CCC(C2CCC(c3cccs3)CC2)CC1.
What is the InChIKey of 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene?
The InChIKey is TVAKYXSHPZLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30S/c1-2-4-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-5-3-14-20-19/h3,5,14-18H,2,4,6-13H2,1H3.
What are the key properties of 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene?
2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene has a molecular weight of 290.52 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene is sourced from PubChem (CID 143775690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).