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

C8H16OS — CID 544306

IUPAC6-methyl-2-propan-2-yl-1,3-oxathiane
SMILESCC1CCSC(C(C)C)O1
InChIInChI=1S/C8H16OS/c1-6(2)8-9-7(3)4-5-10-8/h6-8H,4-5H2,1-3H3
InChIKeySIJVEYDZJVMCFI-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.51
Rot. Bonds1

About 6-methyl-2-propan-2-yl-1,3-oxathiane

6-methyl-2-propan-2-yl-1,3-oxathiane (PubChem CID 544306) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1,3-oxathiane.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-1,3-oxathiane
PubChem CID544306
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name6-methyl-2-propan-2-yl-1,3-oxathiane
SMILESCC1CCSC(C(C)C)O1
InChIInChI=1S/C8H16OS/c1-6(2)8-9-7(3)4-5-10-8/h6-8H,4-5H2,1-3H3
InChIKeySIJVEYDZJVMCFI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1,3-oxathiane?
The IUPAC name of 6-methyl-2-propan-2-yl-1,3-oxathiane (CID 544306) is 6-methyl-2-propan-2-yl-1,3-oxathiane.
What is the SMILES notation for 6-methyl-2-propan-2-yl-1,3-oxathiane?
The canonical SMILES for 6-methyl-2-propan-2-yl-1,3-oxathiane is CC1CCSC(C(C)C)O1.
What is the InChIKey of 6-methyl-2-propan-2-yl-1,3-oxathiane?
The InChIKey is SIJVEYDZJVMCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)8-9-7(3)4-5-10-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-1,3-oxathiane?
6-methyl-2-propan-2-yl-1,3-oxathiane has a molecular weight of 160.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-1,3-oxathiane is sourced from PubChem (CID 544306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).