2-(propan-2-ylsulfonylmethyl)oxolane

C8H16O3S — CID 118405084

IUPAC2-(propan-2-ylsulfonylmethyl)oxolane
SMILESCC(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H16O3S/c1-7(2)12(9,10)6-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyMQOYRGWGAVIBQC-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds3

About 2-(propan-2-ylsulfonylmethyl)oxolane

2-(propan-2-ylsulfonylmethyl)oxolane (PubChem CID 118405084) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name2-(propan-2-ylsulfonylmethyl)oxolane
PubChem CID118405084
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-(propan-2-ylsulfonylmethyl)oxolane
SMILESCC(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H16O3S/c1-7(2)12(9,10)6-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyMQOYRGWGAVIBQC-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonylmethyl)oxolane?
The IUPAC name of 2-(propan-2-ylsulfonylmethyl)oxolane (CID 118405084) is 2-(propan-2-ylsulfonylmethyl)oxolane.
What is the SMILES notation for 2-(propan-2-ylsulfonylmethyl)oxolane?
The canonical SMILES for 2-(propan-2-ylsulfonylmethyl)oxolane is CC(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(propan-2-ylsulfonylmethyl)oxolane?
The InChIKey is MQOYRGWGAVIBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)12(9,10)6-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfonylmethyl)oxolane?
2-(propan-2-ylsulfonylmethyl)oxolane has a molecular weight of 192.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonylmethyl)oxolane is sourced from PubChem (CID 118405084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).