2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane

C16H30OS2 — CID 90401529

IUPAC2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane
SMILESCC(C)CC1SCCC1OC1CCSC1CC(C)C
InChIInChI=1S/C16H30OS2/c1-11(2)9-15-13(5-7-18-15)17-14-6-8-19-16(14)10-12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyLYZDTKBSYMCIDF-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.84
Rot. Bonds6

About 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane

2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane (PubChem CID 90401529) has the molecular formula C16H30OS2 and a molecular weight of 302.55 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane
PubChem CID90401529
Molecular FormulaC16H30OS2
Molecular Weight302.55 g/mol
Exact Mass302.17
IUPAC Name2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane
SMILESCC(C)CC1SCCC1OC1CCSC1CC(C)C
InChIInChI=1S/C16H30OS2/c1-11(2)9-15-13(5-7-18-15)17-14-6-8-19-16(14)10-12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyLYZDTKBSYMCIDF-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane 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-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane?
The IUPAC name of 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane (CID 90401529) is 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane.
What is the SMILES notation for 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane?
The canonical SMILES for 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane is CC(C)CC1SCCC1OC1CCSC1CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane?
The InChIKey is LYZDTKBSYMCIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OS2/c1-11(2)9-15-13(5-7-18-15)17-14-6-8-19-16(14)10-12(3)4/h11-16H,5-10H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane?
2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane has a molecular weight of 302.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane is sourced from PubChem (CID 90401529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).