5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene

C16H28S — CID 135233396

IUPAC5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene
SMILESCC(C)CC1CC=C(CCC2CCCCC2)S1
InChIInChI=1S/C16H28S/c1-13(2)12-16-11-10-15(17-16)9-8-14-6-4-3-5-7-14/h10,13-14,16H,3-9,11-12H2,1-2H3
InChIKeyIOOPEBCCPTVQAP-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.78
Rot. Bonds5

About 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene

5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene (PubChem CID 135233396) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene
PubChem CID135233396
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene
SMILESCC(C)CC1CC=C(CCC2CCCCC2)S1
InChIInChI=1S/C16H28S/c1-13(2)12-16-11-10-15(17-16)9-8-14-6-4-3-5-7-14/h10,13-14,16H,3-9,11-12H2,1-2H3
InChIKeyIOOPEBCCPTVQAP-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene?
The IUPAC name of 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene (CID 135233396) is 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene?
The canonical SMILES for 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene is CC(C)CC1CC=C(CCC2CCCCC2)S1.
What is the InChIKey of 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene?
The InChIKey is IOOPEBCCPTVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28S/c1-13(2)12-16-11-10-15(17-16)9-8-14-6-4-3-5-7-14/h10,13-14,16H,3-9,11-12H2,1-2H3.
What are the key properties of 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene?
5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene has a molecular weight of 252.47 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene is sourced from PubChem (CID 135233396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).