3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene

C21H36S — CID 71081701

IUPAC3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene
SMILESCCC(C)(C)c1sc(C(C)(C)CC)c(C2CCCCC2)c1C
InChIInChI=1S/C21H36S/c1-8-20(4,5)18-15(3)17(16-13-11-10-12-14-16)19(22-18)21(6,7)9-2/h16H,8-14H2,1-7H3
InChIKeyYLPSYYKNHVAFHI-UHFFFAOYSA-N
MW320.59 g/mol
LogP7.48
Rot. Bonds5

About 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene

3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene (PubChem CID 71081701) has the molecular formula C21H36S and a molecular weight of 320.59 g/mol. Its IUPAC name is 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene.

Molecular Properties

Compound Name3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene
PubChem CID71081701
Molecular FormulaC21H36S
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene
SMILESCCC(C)(C)c1sc(C(C)(C)CC)c(C2CCCCC2)c1C
InChIInChI=1S/C21H36S/c1-8-20(4,5)18-15(3)17(16-13-11-10-12-14-16)19(22-18)21(6,7)9-2/h16H,8-14H2,1-7H3
InChIKeyYLPSYYKNHVAFHI-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)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

3-cyclohexyl-4,5-dimethylthiophen-2-amine
CID 82366166
4,5-dicyclohexyl-6-ethyl-2-methylbenzene-1,3-diamine
CID 87525753
6-cyclohexyl-3,5-dimethylthieno[3,2-b]thiophene
CID 155308174
5-cyclopentyl-3-(2-methylbutan-2-yl)-1H-1,2,4-triazole
CID 62678998
3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
CID 141143598
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine
CID 63318666
2-cyclohexyl-4-[2-(4-hydroxyphenyl)propan-2-yl]-3,5,6-trimethylphenol
CID 154436183
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
2-(2-cyclohexyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
CID 82437050
2-cyclohexyl-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 21087760
3-methylpentan-3-ylcycloundecane
CID 123467319

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene?
The IUPAC name of 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene (CID 71081701) is 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene.
What is the SMILES notation for 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene?
The canonical SMILES for 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene is CCC(C)(C)c1sc(C(C)(C)CC)c(C2CCCCC2)c1C.
What is the InChIKey of 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene?
The InChIKey is YLPSYYKNHVAFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36S/c1-8-20(4,5)18-15(3)17(16-13-11-10-12-14-16)19(22-18)21(6,7)9-2/h16H,8-14H2,1-7H3.
What are the key properties of 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene?
3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene has a molecular weight of 320.59 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene is sourced from PubChem (CID 71081701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).