(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane

C8H16OS — CID 59062063

IUPAC(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane
SMILESCCC1(C)CS[C@H](C)CO1
InChIInChI=1S/C8H16OS/c1-4-8(3)6-10-7(2)5-9-8/h7H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyFVCYXYCDZZBCOG-GVHYBUMESA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds1

About (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane

(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane (PubChem CID 59062063) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane.

Molecular Properties

Compound Name(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane
PubChem CID59062063
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane
SMILESCCC1(C)CS[C@H](C)CO1
InChIInChI=1S/C8H16OS/c1-4-8(3)6-10-7(2)5-9-8/h7H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyFVCYXYCDZZBCOG-GVHYBUMESA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane?
The IUPAC name of (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane (CID 59062063) is (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane.
What is the SMILES notation for (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane?
The canonical SMILES for (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane is CCC1(C)CS[C@H](C)CO1.
What is the InChIKey of (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane?
The InChIKey is FVCYXYCDZZBCOG-GVHYBUMESA-N. The full InChI is InChI=1S/C8H16OS/c1-4-8(3)6-10-7(2)5-9-8/h7H,4-6H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane?
(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane is sourced from PubChem (CID 59062063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).