2-(propan-2-yloxymethyl)thiolane

C8H16OS — CID 156869065

IUPAC2-(propan-2-yloxymethyl)thiolane
SMILESCC(C)OCC1CCCS1
InChIInChI=1S/C8H16OS/c1-7(2)9-6-8-4-3-5-10-8/h7-8H,3-6H2,1-2H3
InChIKeyHYGHFPFJLMLTMO-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds3

About 2-(propan-2-yloxymethyl)thiolane

2-(propan-2-yloxymethyl)thiolane (PubChem CID 156869065) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)thiolane.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)thiolane
PubChem CID156869065
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(propan-2-yloxymethyl)thiolane
SMILESCC(C)OCC1CCCS1
InChIInChI=1S/C8H16OS/c1-7(2)9-6-8-4-3-5-10-8/h7-8H,3-6H2,1-2H3
InChIKeyHYGHFPFJLMLTMO-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)thiolane?
The IUPAC name of 2-(propan-2-yloxymethyl)thiolane (CID 156869065) is 2-(propan-2-yloxymethyl)thiolane.
What is the SMILES notation for 2-(propan-2-yloxymethyl)thiolane?
The canonical SMILES for 2-(propan-2-yloxymethyl)thiolane is CC(C)OCC1CCCS1.
What is the InChIKey of 2-(propan-2-yloxymethyl)thiolane?
The InChIKey is HYGHFPFJLMLTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)9-6-8-4-3-5-10-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)thiolane?
2-(propan-2-yloxymethyl)thiolane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)thiolane is sourced from PubChem (CID 156869065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).