2-(3-ethylhexoxy)thiolane 1,1-dioxide

C12H24O3S — CID 70529318

IUPAC2-(3-ethylhexoxy)thiolane 1,1-dioxide
SMILESCCCC(CC)CCOC1CCCS1(=O)=O
InChIInChI=1S/C12H24O3S/c1-3-6-11(4-2)8-9-15-12-7-5-10-16(12,13)14/h11-12H,3-10H2,1-2H3
InChIKeyYRMIODYOFLCZEN-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.75
Rot. Bonds7

About 2-(3-ethylhexoxy)thiolane 1,1-dioxide

2-(3-ethylhexoxy)thiolane 1,1-dioxide (PubChem CID 70529318) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(3-ethylhexoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(3-ethylhexoxy)thiolane 1,1-dioxide
PubChem CID70529318
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name2-(3-ethylhexoxy)thiolane 1,1-dioxide
SMILESCCCC(CC)CCOC1CCCS1(=O)=O
InChIInChI=1S/C12H24O3S/c1-3-6-11(4-2)8-9-15-12-7-5-10-16(12,13)14/h11-12H,3-10H2,1-2H3
InChIKeyYRMIODYOFLCZEN-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylhexoxy)thiolane 1,1-dioxide?
The IUPAC name of 2-(3-ethylhexoxy)thiolane 1,1-dioxide (CID 70529318) is 2-(3-ethylhexoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(3-ethylhexoxy)thiolane 1,1-dioxide?
The canonical SMILES for 2-(3-ethylhexoxy)thiolane 1,1-dioxide is CCCC(CC)CCOC1CCCS1(=O)=O.
What is the InChIKey of 2-(3-ethylhexoxy)thiolane 1,1-dioxide?
The InChIKey is YRMIODYOFLCZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-3-6-11(4-2)8-9-15-12-7-5-10-16(12,13)14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(3-ethylhexoxy)thiolane 1,1-dioxide?
2-(3-ethylhexoxy)thiolane 1,1-dioxide has a molecular weight of 248.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylhexoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 70529318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).