2-methyl-3-propan-2-ylsulfanyloxolane

C8H16OS — CID 126989742

IUPAC2-methyl-3-propan-2-ylsulfanyloxolane
SMILESCC(C)SC1CCOC1C
InChIInChI=1S/C8H16OS/c1-6(2)10-8-4-5-9-7(8)3/h6-8H,4-5H2,1-3H3
InChIKeyQTIJCZHZWRBBGH-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-3-propan-2-ylsulfanyloxolane

2-methyl-3-propan-2-ylsulfanyloxolane (PubChem CID 126989742) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfanyloxolane.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylsulfanyloxolane
PubChem CID126989742
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-3-propan-2-ylsulfanyloxolane
SMILESCC(C)SC1CCOC1C
InChIInChI=1S/C8H16OS/c1-6(2)10-8-4-5-9-7(8)3/h6-8H,4-5H2,1-3H3
InChIKeyQTIJCZHZWRBBGH-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylsulfanyloxolane?
The IUPAC name of 2-methyl-3-propan-2-ylsulfanyloxolane (CID 126989742) is 2-methyl-3-propan-2-ylsulfanyloxolane.
What is the SMILES notation for 2-methyl-3-propan-2-ylsulfanyloxolane?
The canonical SMILES for 2-methyl-3-propan-2-ylsulfanyloxolane is CC(C)SC1CCOC1C.
What is the InChIKey of 2-methyl-3-propan-2-ylsulfanyloxolane?
The InChIKey is QTIJCZHZWRBBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)10-8-4-5-9-7(8)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylsulfanyloxolane?
2-methyl-3-propan-2-ylsulfanyloxolane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylsulfanyloxolane is sourced from PubChem (CID 126989742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).