2-(2-ethylhexoxymethyl)thiolane

C13H26OS — CID 175006977

IUPAC2-(2-ethylhexoxymethyl)thiolane
SMILESCCCCC(CC)COCC1CCCS1
InChIInChI=1S/C13H26OS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h12-13H,3-11H2,1-2H3
InChIKeySHUPDFHVLBLJES-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.11
Rot. Bonds8

About 2-(2-ethylhexoxymethyl)thiolane

2-(2-ethylhexoxymethyl)thiolane (PubChem CID 175006977) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)thiolane.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)thiolane
PubChem CID175006977
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name2-(2-ethylhexoxymethyl)thiolane
SMILESCCCCC(CC)COCC1CCCS1
InChIInChI=1S/C13H26OS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h12-13H,3-11H2,1-2H3
InChIKeySHUPDFHVLBLJES-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)thiolane?
The IUPAC name of 2-(2-ethylhexoxymethyl)thiolane (CID 175006977) is 2-(2-ethylhexoxymethyl)thiolane.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)thiolane?
The canonical SMILES for 2-(2-ethylhexoxymethyl)thiolane is CCCCC(CC)COCC1CCCS1.
What is the InChIKey of 2-(2-ethylhexoxymethyl)thiolane?
The InChIKey is SHUPDFHVLBLJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxymethyl)thiolane?
2-(2-ethylhexoxymethyl)thiolane has a molecular weight of 230.42 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)thiolane is sourced from PubChem (CID 175006977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).