2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane

C16H30OS — CID 70456790

IUPAC2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane
SMILESCCSCCCC(C1CCCCC1)C1CCCO1
InChIInChI=1S/C16H30OS/c1-2-18-13-7-10-15(16-11-6-12-17-16)14-8-4-3-5-9-14/h14-16H,2-13H2,1H3
InChIKeyJTYVSNJVPWICFV-UHFFFAOYSA-N
MW270.48 g/mol
LogP4.90
Rot. Bonds7

About 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane

2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane (PubChem CID 70456790) has the molecular formula C16H30OS and a molecular weight of 270.48 g/mol. Its IUPAC name is 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane.

Molecular Properties

Compound Name2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane
PubChem CID70456790
Molecular FormulaC16H30OS
Molecular Weight270.48 g/mol
Exact Mass270.20
IUPAC Name2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane
SMILESCCSCCCC(C1CCCCC1)C1CCCO1
InChIInChI=1S/C16H30OS/c1-2-18-13-7-10-15(16-11-6-12-17-16)14-8-4-3-5-9-14/h14-16H,2-13H2,1H3
InChIKeyJTYVSNJVPWICFV-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane 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-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane?
The IUPAC name of 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane (CID 70456790) is 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane.
What is the SMILES notation for 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane?
The canonical SMILES for 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane is CCSCCCC(C1CCCCC1)C1CCCO1.
What is the InChIKey of 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane?
The InChIKey is JTYVSNJVPWICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OS/c1-2-18-13-7-10-15(16-11-6-12-17-16)14-8-4-3-5-9-14/h14-16H,2-13H2,1H3.
What are the key properties of 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane?
2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane has a molecular weight of 270.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-4-ethylsulfanylbutyl)oxolane is sourced from PubChem (CID 70456790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).