2-methyl-5-propan-2-yl-1,3-oxathiane

C8H16OS — CID 557922

IUPAC2-methyl-5-propan-2-yl-1,3-oxathiane
SMILESCC1OCC(C(C)C)CS1
InChIInChI=1S/C8H16OS/c1-6(2)8-4-9-7(3)10-5-8/h6-8H,4-5H2,1-3H3
InChIKeyJSHXMLHPTWVJRP-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.37
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1,3-oxathiane

2-methyl-5-propan-2-yl-1,3-oxathiane (PubChem CID 557922) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3-oxathiane.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,3-oxathiane
PubChem CID557922
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-5-propan-2-yl-1,3-oxathiane
SMILESCC1OCC(C(C)C)CS1
InChIInChI=1S/C8H16OS/c1-6(2)8-4-9-7(3)10-5-8/h6-8H,4-5H2,1-3H3
InChIKeyJSHXMLHPTWVJRP-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxathiane?
The IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxathiane (CID 557922) is 2-methyl-5-propan-2-yl-1,3-oxathiane.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3-oxathiane?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,3-oxathiane is CC1OCC(C(C)C)CS1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,3-oxathiane?
The InChIKey is JSHXMLHPTWVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)8-4-9-7(3)10-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,3-oxathiane?
2-methyl-5-propan-2-yl-1,3-oxathiane has a molecular weight of 160.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,3-oxathiane is sourced from PubChem (CID 557922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).