dipropan-2-yl sulfite

C6H14O3S — CID 536816

IUPACdipropan-2-yl sulfite
SMILESCC(C)OS(=O)OC(C)C
InChIInChI=1S/C6H14O3S/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3
InChIKeyIIKLEMKAKOISSP-UHFFFAOYSA-N
MW166.24 g/mol
LogP1.42
Rot. Bonds4

About dipropan-2-yl sulfite

dipropan-2-yl sulfite (PubChem CID 536816) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is dipropan-2-yl sulfite.

Molecular Properties

Compound Namedipropan-2-yl sulfite
PubChem CID536816
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Namedipropan-2-yl sulfite
SMILESCC(C)OS(=O)OC(C)C
InChIInChI=1S/C6H14O3S/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3
InChIKeyIIKLEMKAKOISSP-UHFFFAOYSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl sulfite?
The IUPAC name of dipropan-2-yl sulfite (CID 536816) is dipropan-2-yl sulfite.
What is the SMILES notation for dipropan-2-yl sulfite?
The canonical SMILES for dipropan-2-yl sulfite is CC(C)OS(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl sulfite?
The InChIKey is IIKLEMKAKOISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3.
What are the key properties of dipropan-2-yl sulfite?
dipropan-2-yl sulfite has a molecular weight of 166.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl sulfite is sourced from PubChem (CID 536816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).