3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide

C12H24O4S — CID 5211230

IUPAC3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide
SMILESCC(C)COC1CS(=O)(=O)CC1OCC(C)C
InChIInChI=1S/C12H24O4S/c1-9(2)5-15-11-7-17(13,14)8-12(11)16-6-10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyLYIFZGMNVZNQIL-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.50
Rot. Bonds6

About 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide

3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide (PubChem CID 5211230) has the molecular formula C12H24O4S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide
PubChem CID5211230
Molecular FormulaC12H24O4S
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Name3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide
SMILESCC(C)COC1CS(=O)(=O)CC1OCC(C)C
InChIInChI=1S/C12H24O4S/c1-9(2)5-15-11-7-17(13,14)8-12(11)16-6-10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyLYIFZGMNVZNQIL-UHFFFAOYSA-N
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide?
The IUPAC name of 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide (CID 5211230) is 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide is CC(C)COC1CS(=O)(=O)CC1OCC(C)C.
What is the InChIKey of 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide?
The InChIKey is LYIFZGMNVZNQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4S/c1-9(2)5-15-11-7-17(13,14)8-12(11)16-6-10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide?
3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide has a molecular weight of 264.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methylpropoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 5211230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).