2-pentylsulfanylprop-2-enylcyclohexane

C14H26S — CID 58150584

IUPAC2-pentylsulfanylprop-2-enylcyclohexane
SMILESC=C(CC1CCCCC1)SCCCCC
InChIInChI=1S/C14H26S/c1-3-4-8-11-15-13(2)12-14-9-6-5-7-10-14/h14H,2-12H2,1H3
InChIKeyFHPUJEYPMSGONV-UHFFFAOYSA-N
MW226.43 g/mol
LogP5.39
Rot. Bonds7

About 2-pentylsulfanylprop-2-enylcyclohexane

2-pentylsulfanylprop-2-enylcyclohexane (PubChem CID 58150584) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 2-pentylsulfanylprop-2-enylcyclohexane.

Molecular Properties

Compound Name2-pentylsulfanylprop-2-enylcyclohexane
PubChem CID58150584
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name2-pentylsulfanylprop-2-enylcyclohexane
SMILESC=C(CC1CCCCC1)SCCCCC
InChIInChI=1S/C14H26S/c1-3-4-8-11-15-13(2)12-14-9-6-5-7-10-14/h14H,2-12H2,1H3
InChIKeyFHPUJEYPMSGONV-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-pentylsulfanylprop-2-enylcyclohexane 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 2-pentylsulfanylprop-2-enylcyclohexane?
The IUPAC name of 2-pentylsulfanylprop-2-enylcyclohexane (CID 58150584) is 2-pentylsulfanylprop-2-enylcyclohexane.
What is the SMILES notation for 2-pentylsulfanylprop-2-enylcyclohexane?
The canonical SMILES for 2-pentylsulfanylprop-2-enylcyclohexane is C=C(CC1CCCCC1)SCCCCC.
What is the InChIKey of 2-pentylsulfanylprop-2-enylcyclohexane?
The InChIKey is FHPUJEYPMSGONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-3-4-8-11-15-13(2)12-14-9-6-5-7-10-14/h14H,2-12H2,1H3.
What are the key properties of 2-pentylsulfanylprop-2-enylcyclohexane?
2-pentylsulfanylprop-2-enylcyclohexane has a molecular weight of 226.43 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfanylprop-2-enylcyclohexane is sourced from PubChem (CID 58150584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).