3-methoxy-2-propan-2-ylthiolane

C8H16OS — CID 20664836

IUPAC3-methoxy-2-propan-2-ylthiolane
SMILESCOC1CCSC1C(C)C
InChIInChI=1S/C8H16OS/c1-6(2)8-7(9-3)4-5-10-8/h6-8H,4-5H2,1-3H3
InChIKeyZYAZCFBMYFQSSC-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.16
Rot. Bonds2

About 3-methoxy-2-propan-2-ylthiolane

3-methoxy-2-propan-2-ylthiolane (PubChem CID 20664836) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-ylthiolane.

Molecular Properties

Compound Name3-methoxy-2-propan-2-ylthiolane
PubChem CID20664836
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-methoxy-2-propan-2-ylthiolane
SMILESCOC1CCSC1C(C)C
InChIInChI=1S/C8H16OS/c1-6(2)8-7(9-3)4-5-10-8/h6-8H,4-5H2,1-3H3
InChIKeyZYAZCFBMYFQSSC-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-ylthiolane?
The IUPAC name of 3-methoxy-2-propan-2-ylthiolane (CID 20664836) is 3-methoxy-2-propan-2-ylthiolane.
What is the SMILES notation for 3-methoxy-2-propan-2-ylthiolane?
The canonical SMILES for 3-methoxy-2-propan-2-ylthiolane is COC1CCSC1C(C)C.
What is the InChIKey of 3-methoxy-2-propan-2-ylthiolane?
The InChIKey is ZYAZCFBMYFQSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)8-7(9-3)4-5-10-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-ylthiolane?
3-methoxy-2-propan-2-ylthiolane has a molecular weight of 160.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-ylthiolane is sourced from PubChem (CID 20664836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).