dipropan-2-yl sulfate

C6H14O4S — CID 18096

IUPACdipropan-2-yl sulfate
SMILESCC(C)OS(=O)(=O)OC(C)C
InChIInChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
InChIKeyHWBLTYHIEYOAOL-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.08
Rot. Bonds4

About dipropan-2-yl sulfate

dipropan-2-yl sulfate (PubChem CID 18096) has the molecular formula C6H14O4S and a molecular weight of 182.24 g/mol. Its IUPAC name is dipropan-2-yl sulfate.

Molecular Properties

Compound Namedipropan-2-yl sulfate
PubChem CID18096
Molecular FormulaC6H14O4S
Molecular Weight182.24 g/mol
Exact Mass182.06
IUPAC Namedipropan-2-yl sulfate
SMILESCC(C)OS(=O)(=O)OC(C)C
InChIInChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
InChIKeyHWBLTYHIEYOAOL-UHFFFAOYSA-N
XLogP1.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl sulfate?
The IUPAC name of dipropan-2-yl sulfate (CID 18096) is dipropan-2-yl sulfate.
What is the SMILES notation for dipropan-2-yl sulfate?
The canonical SMILES for dipropan-2-yl sulfate is CC(C)OS(=O)(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl sulfate?
The InChIKey is HWBLTYHIEYOAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3.
What are the key properties of dipropan-2-yl sulfate?
dipropan-2-yl sulfate has a molecular weight of 182.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl sulfate is sourced from PubChem (CID 18096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).