2-(cyclooctylmethyl)thiolane

C13H24S — CID 163438638

IUPAC2-(cyclooctylmethyl)thiolane
SMILESC1CCCC(CC2CCCS2)CCC1
InChIInChI=1S/C13H24S/c1-2-4-7-12(8-5-3-1)11-13-9-6-10-14-13/h12-13H,1-11H2
InChIKeyAWQLWVPYIGENHU-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.63
Rot. Bonds2

About 2-(cyclooctylmethyl)thiolane

2-(cyclooctylmethyl)thiolane (PubChem CID 163438638) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 2-(cyclooctylmethyl)thiolane.

Molecular Properties

Compound Name2-(cyclooctylmethyl)thiolane
PubChem CID163438638
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name2-(cyclooctylmethyl)thiolane
SMILESC1CCCC(CC2CCCS2)CCC1
InChIInChI=1S/C13H24S/c1-2-4-7-12(8-5-3-1)11-13-9-6-10-14-13/h12-13H,1-11H2
InChIKeyAWQLWVPYIGENHU-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethyl)thiolane?
The IUPAC name of 2-(cyclooctylmethyl)thiolane (CID 163438638) is 2-(cyclooctylmethyl)thiolane.
What is the SMILES notation for 2-(cyclooctylmethyl)thiolane?
The canonical SMILES for 2-(cyclooctylmethyl)thiolane is C1CCCC(CC2CCCS2)CCC1.
What is the InChIKey of 2-(cyclooctylmethyl)thiolane?
The InChIKey is AWQLWVPYIGENHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-2-4-7-12(8-5-3-1)11-13-9-6-10-14-13/h12-13H,1-11H2.
What are the key properties of 2-(cyclooctylmethyl)thiolane?
2-(cyclooctylmethyl)thiolane has a molecular weight of 212.40 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethyl)thiolane is sourced from PubChem (CID 163438638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).