1-hexylsulfanylcyclopentene

C11H20S — CID 11286871

IUPAC1-hexylsulfanylcyclopentene
SMILESCCCCCCSC1=CCCC1
InChIInChI=1S/C11H20S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h8H,2-7,9-10H2,1H3
InChIKeyDTGHKOIYWHLENE-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.37
Rot. Bonds6

About 1-hexylsulfanylcyclopentene

1-hexylsulfanylcyclopentene (PubChem CID 11286871) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-hexylsulfanylcyclopentene.

Molecular Properties

Compound Name1-hexylsulfanylcyclopentene
PubChem CID11286871
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-hexylsulfanylcyclopentene
SMILESCCCCCCSC1=CCCC1
InChIInChI=1S/C11H20S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h8H,2-7,9-10H2,1H3
InChIKeyDTGHKOIYWHLENE-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hexylsulfanylcyclopentene 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-hexylsulfanylcyclopentene?
The IUPAC name of 1-hexylsulfanylcyclopentene (CID 11286871) is 1-hexylsulfanylcyclopentene.
What is the SMILES notation for 1-hexylsulfanylcyclopentene?
The canonical SMILES for 1-hexylsulfanylcyclopentene is CCCCCCSC1=CCCC1.
What is the InChIKey of 1-hexylsulfanylcyclopentene?
The InChIKey is DTGHKOIYWHLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 1-hexylsulfanylcyclopentene?
1-hexylsulfanylcyclopentene has a molecular weight of 184.35 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylsulfanylcyclopentene is sourced from PubChem (CID 11286871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).