2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane

C11H20OS — CID 123400456

IUPAC2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane
SMILESCC1CCC(C(C)C2CCCS2)O1
InChIInChI=1S/C11H20OS/c1-8-5-6-10(12-8)9(2)11-4-3-7-13-11/h8-11H,3-7H2,1-2H3
InChIKeyYVZDEHPUXRTWQM-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.09
Rot. Bonds2

About 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane

2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane (PubChem CID 123400456) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane.

Molecular Properties

Compound Name2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane
PubChem CID123400456
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane
SMILESCC1CCC(C(C)C2CCCS2)O1
InChIInChI=1S/C11H20OS/c1-8-5-6-10(12-8)9(2)11-4-3-7-13-11/h8-11H,3-7H2,1-2H3
InChIKeyYVZDEHPUXRTWQM-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane?
The IUPAC name of 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane (CID 123400456) is 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane.
What is the SMILES notation for 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane?
The canonical SMILES for 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane is CC1CCC(C(C)C2CCCS2)O1.
What is the InChIKey of 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane?
The InChIKey is YVZDEHPUXRTWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-8-5-6-10(12-8)9(2)11-4-3-7-13-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane?
2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane has a molecular weight of 200.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(thiolan-2-yl)ethyl]oxolane is sourced from PubChem (CID 123400456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).