2-(4-cyclohexylbutyl)thiophene

C14H22S — CID 142713613

IUPAC2-(4-cyclohexylbutyl)thiophene
SMILESc1csc(CCCCC2CCCCC2)c1
InChIInChI=1S/C14H22S/c1-2-7-13(8-3-1)9-4-5-10-14-11-6-12-15-14/h6,11-13H,1-5,7-10H2
InChIKeyKXZVKNQLRWMETM-UHFFFAOYSA-N
MW222.40 g/mol
LogP5.04
Rot. Bonds5

About 2-(4-cyclohexylbutyl)thiophene

2-(4-cyclohexylbutyl)thiophene (PubChem CID 142713613) has the molecular formula C14H22S and a molecular weight of 222.40 g/mol. Its IUPAC name is 2-(4-cyclohexylbutyl)thiophene.

Molecular Properties

Compound Name2-(4-cyclohexylbutyl)thiophene
PubChem CID142713613
Molecular FormulaC14H22S
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name2-(4-cyclohexylbutyl)thiophene
SMILESc1csc(CCCCC2CCCCC2)c1
InChIInChI=1S/C14H22S/c1-2-7-13(8-3-1)9-4-5-10-14-11-6-12-15-14/h6,11-13H,1-5,7-10H2
InChIKeyKXZVKNQLRWMETM-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
2-[2-(3-chlorocycloheptyl)ethyl]thiophene
CID 64507957
2-(10-thiophen-2-yldecoxy)oxane
CID 71403514
2-bromothiophene;pentylcycloheptane
CID 175320420
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
2-[2-(3-chlorocyclohexyl)ethyl]thiophene
CID 64515904
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
2-(4-fluorobutyl)thiophene
CID 67851736

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbutyl)thiophene?
The IUPAC name of 2-(4-cyclohexylbutyl)thiophene (CID 142713613) is 2-(4-cyclohexylbutyl)thiophene.
What is the SMILES notation for 2-(4-cyclohexylbutyl)thiophene?
The canonical SMILES for 2-(4-cyclohexylbutyl)thiophene is c1csc(CCCCC2CCCCC2)c1.
What is the InChIKey of 2-(4-cyclohexylbutyl)thiophene?
The InChIKey is KXZVKNQLRWMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S/c1-2-7-13(8-3-1)9-4-5-10-14-11-6-12-15-14/h6,11-13H,1-5,7-10H2.
What are the key properties of 2-(4-cyclohexylbutyl)thiophene?
2-(4-cyclohexylbutyl)thiophene has a molecular weight of 222.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbutyl)thiophene is sourced from PubChem (CID 142713613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).