1-(1-pentylsulfanylethenyl)cyclohexene

C13H22S — CID 46909681

IUPAC1-(1-pentylsulfanylethenyl)cyclohexene
SMILESC=C(SCCCCC)C1=CCCCC1
InChIInChI=1S/C13H22S/c1-3-4-8-11-14-12(2)13-9-6-5-7-10-13/h9H,2-8,10-11H2,1H3
InChIKeyHUWYMRKWMDHQOU-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.92
Rot. Bonds6

About 1-(1-pentylsulfanylethenyl)cyclohexene

1-(1-pentylsulfanylethenyl)cyclohexene (PubChem CID 46909681) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 1-(1-pentylsulfanylethenyl)cyclohexene.

Molecular Properties

Compound Name1-(1-pentylsulfanylethenyl)cyclohexene
PubChem CID46909681
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name1-(1-pentylsulfanylethenyl)cyclohexene
SMILESC=C(SCCCCC)C1=CCCCC1
InChIInChI=1S/C13H22S/c1-3-4-8-11-14-12(2)13-9-6-5-7-10-13/h9H,2-8,10-11H2,1H3
InChIKeyHUWYMRKWMDHQOU-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-pentylsulfanylethenyl)cyclohexene 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 1-(1-pentylsulfanylethenyl)cyclohexene?
The IUPAC name of 1-(1-pentylsulfanylethenyl)cyclohexene (CID 46909681) is 1-(1-pentylsulfanylethenyl)cyclohexene.
What is the SMILES notation for 1-(1-pentylsulfanylethenyl)cyclohexene?
The canonical SMILES for 1-(1-pentylsulfanylethenyl)cyclohexene is C=C(SCCCCC)C1=CCCCC1.
What is the InChIKey of 1-(1-pentylsulfanylethenyl)cyclohexene?
The InChIKey is HUWYMRKWMDHQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-3-4-8-11-14-12(2)13-9-6-5-7-10-13/h9H,2-8,10-11H2,1H3.
What are the key properties of 1-(1-pentylsulfanylethenyl)cyclohexene?
1-(1-pentylsulfanylethenyl)cyclohexene has a molecular weight of 210.39 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylsulfanylethenyl)cyclohexene is sourced from PubChem (CID 46909681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).