4-cyclopentylsulfanylbutylcyclohexane

C15H28S — CID 166876446

IUPAC4-cyclopentylsulfanylbutylcyclohexane
SMILESC1CCC(CCCCSC2CCCC2)CC1
InChIInChI=1S/C15H28S/c1-2-8-14(9-3-1)10-6-7-13-16-15-11-4-5-12-15/h14-15H,1-13H2
InChIKeySPAPENVNQMIINU-UHFFFAOYSA-N
MW240.46 g/mol
LogP5.41
Rot. Bonds6

About 4-cyclopentylsulfanylbutylcyclohexane

4-cyclopentylsulfanylbutylcyclohexane (PubChem CID 166876446) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is 4-cyclopentylsulfanylbutylcyclohexane.

Molecular Properties

Compound Name4-cyclopentylsulfanylbutylcyclohexane
PubChem CID166876446
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name4-cyclopentylsulfanylbutylcyclohexane
SMILESC1CCC(CCCCSC2CCCC2)CC1
InChIInChI=1S/C15H28S/c1-2-8-14(9-3-1)10-6-7-13-16-15-11-4-5-12-15/h14-15H,1-13H2
InChIKeySPAPENVNQMIINU-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.41
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

4-cyclopentylbutylcyclohexane
CID 144547696
nonylsulfanylcyclohexane
CID 14783593
octadecylsulfanylcyclohexane
CID 19905552
octylsulfanylcycloheptane
CID 70441156
butylsulfanylcycloheptane
CID 14970942
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
hexylsulfanylcyclopentane
CID 534970
3-cyclobutylpropylcyclohexane
CID 54165208
1,9-bis(cyclohexylsulfanyl)-4,6-bis(3-cyclohexylsulfanylpropyl)nonane-4,6-diol
CID 167634347
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
6-cyclohexylsulfanylhexan-2-amine
CID 64633438
4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanylbutylcyclohexane?
The IUPAC name of 4-cyclopentylsulfanylbutylcyclohexane (CID 166876446) is 4-cyclopentylsulfanylbutylcyclohexane.
What is the SMILES notation for 4-cyclopentylsulfanylbutylcyclohexane?
The canonical SMILES for 4-cyclopentylsulfanylbutylcyclohexane is C1CCC(CCCCSC2CCCC2)CC1.
What is the InChIKey of 4-cyclopentylsulfanylbutylcyclohexane?
The InChIKey is SPAPENVNQMIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S/c1-2-8-14(9-3-1)10-6-7-13-16-15-11-4-5-12-15/h14-15H,1-13H2.
What are the key properties of 4-cyclopentylsulfanylbutylcyclohexane?
4-cyclopentylsulfanylbutylcyclohexane has a molecular weight of 240.46 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanylbutylcyclohexane is sourced from PubChem (CID 166876446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).