2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine

C9H16OS — CID 110192258

IUPAC2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCCC1=C(C)SCC(CC)O1
InChIInChI=1S/C9H16OS/c1-4-8-6-11-7(3)9(5-2)10-8/h8H,4-6H2,1-3H3
InChIKeyXAMKAMVPVUOHRQ-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.17
Rot. Bonds2

About 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine

2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine (PubChem CID 110192258) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine
PubChem CID110192258
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCCC1=C(C)SCC(CC)O1
InChIInChI=1S/C9H16OS/c1-4-8-6-11-7(3)9(5-2)10-8/h8H,4-6H2,1-3H3
InChIKeyXAMKAMVPVUOHRQ-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine (CID 110192258) is 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine is CCC1=C(C)SCC(CC)O1.
What is the InChIKey of 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is XAMKAMVPVUOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-4-8-6-11-7(3)9(5-2)10-8/h8H,4-6H2,1-3H3.
What are the key properties of 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine?
2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 172.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-5-methyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 110192258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).