5-tert-butylsulfanylcyclodecan-1-one

C14H26OS — CID 122472735

IUPAC5-tert-butylsulfanylcyclodecan-1-one
SMILESCC(C)(C)SC1CCCCCC(=O)CCC1
InChIInChI=1S/C14H26OS/c1-14(2,3)16-13-10-6-4-5-8-12(15)9-7-11-13/h13H,4-11H2,1-3H3
InChIKeyZLTWDFPRHPFJQL-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.59
Rot. Bonds1

About 5-tert-butylsulfanylcyclodecan-1-one

5-tert-butylsulfanylcyclodecan-1-one (PubChem CID 122472735) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 5-tert-butylsulfanylcyclodecan-1-one.

Molecular Properties

Compound Name5-tert-butylsulfanylcyclodecan-1-one
PubChem CID122472735
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name5-tert-butylsulfanylcyclodecan-1-one
SMILESCC(C)(C)SC1CCCCCC(=O)CCC1
InChIInChI=1S/C14H26OS/c1-14(2,3)16-13-10-6-4-5-8-12(15)9-7-11-13/h13H,4-11H2,1-3H3
InChIKeyZLTWDFPRHPFJQL-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butylsulfanylcyclodecan-1-one 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 5-tert-butylsulfanylcyclodecan-1-one?
The IUPAC name of 5-tert-butylsulfanylcyclodecan-1-one (CID 122472735) is 5-tert-butylsulfanylcyclodecan-1-one.
What is the SMILES notation for 5-tert-butylsulfanylcyclodecan-1-one?
The canonical SMILES for 5-tert-butylsulfanylcyclodecan-1-one is CC(C)(C)SC1CCCCCC(=O)CCC1.
What is the InChIKey of 5-tert-butylsulfanylcyclodecan-1-one?
The InChIKey is ZLTWDFPRHPFJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-14(2,3)16-13-10-6-4-5-8-12(15)9-7-11-13/h13H,4-11H2,1-3H3.
What are the key properties of 5-tert-butylsulfanylcyclodecan-1-one?
5-tert-butylsulfanylcyclodecan-1-one has a molecular weight of 242.43 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanylcyclodecan-1-one is sourced from PubChem (CID 122472735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).