2-ethyl-6-methoxythiane

C8H16OS — CID 175476076

IUPAC2-ethyl-6-methoxythiane
SMILESCCC1CCCC(OC)S1
InChIInChI=1S/C8H16OS/c1-3-7-5-4-6-8(9-2)10-7/h7-8H,3-6H2,1-2H3
InChIKeyBWKBDLAXLCDZEC-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.65
Rot. Bonds2

About 2-ethyl-6-methoxythiane

2-ethyl-6-methoxythiane (PubChem CID 175476076) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-ethyl-6-methoxythiane.

Molecular Properties

Compound Name2-ethyl-6-methoxythiane
PubChem CID175476076
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-ethyl-6-methoxythiane
SMILESCCC1CCCC(OC)S1
InChIInChI=1S/C8H16OS/c1-3-7-5-4-6-8(9-2)10-7/h7-8H,3-6H2,1-2H3
InChIKeyBWKBDLAXLCDZEC-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxythiane?
The IUPAC name of 2-ethyl-6-methoxythiane (CID 175476076) is 2-ethyl-6-methoxythiane.
What is the SMILES notation for 2-ethyl-6-methoxythiane?
The canonical SMILES for 2-ethyl-6-methoxythiane is CCC1CCCC(OC)S1.
What is the InChIKey of 2-ethyl-6-methoxythiane?
The InChIKey is BWKBDLAXLCDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-7-5-4-6-8(9-2)10-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxythiane?
2-ethyl-6-methoxythiane has a molecular weight of 160.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxythiane is sourced from PubChem (CID 175476076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).