pentylsulfanylcyclohexane

C11H22S — CID 557453

IUPACpentylsulfanylcyclohexane
SMILESCCCCCSC1CCCCC1
InChIInChI=1S/C11H22S/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11H,2-10H2,1H3
InChIKeyRKCRLYNCLIKFOM-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.24
Rot. Bonds5

About pentylsulfanylcyclohexane

pentylsulfanylcyclohexane (PubChem CID 557453) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is pentylsulfanylcyclohexane.

Molecular Properties

Compound Namepentylsulfanylcyclohexane
PubChem CID557453
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Namepentylsulfanylcyclohexane
SMILESCCCCCSC1CCCCC1
InChIInChI=1S/C11H22S/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11H,2-10H2,1H3
InChIKeyRKCRLYNCLIKFOM-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pentylsulfanylcyclohexane 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 pentylsulfanylcyclohexane?
The IUPAC name of pentylsulfanylcyclohexane (CID 557453) is pentylsulfanylcyclohexane.
What is the SMILES notation for pentylsulfanylcyclohexane?
The canonical SMILES for pentylsulfanylcyclohexane is CCCCCSC1CCCCC1.
What is the InChIKey of pentylsulfanylcyclohexane?
The InChIKey is RKCRLYNCLIKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-2-3-7-10-12-11-8-5-4-6-9-11/h11H,2-10H2,1H3.
What are the key properties of pentylsulfanylcyclohexane?
pentylsulfanylcyclohexane has a molecular weight of 186.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentylsulfanylcyclohexane is sourced from PubChem (CID 557453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).