1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol

C10H22O3S — CID 20834287

IUPAC1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCSCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C10H22O3S/c1-8(11)5-12-9(2)6-13-10(3)7-14-4/h8-11H,5-7H2,1-4H3
InChIKeyVRUJZAUWWWDUCV-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.54
Rot. Bonds8

About 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 20834287) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID20834287
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCSCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C10H22O3S/c1-8(11)5-12-9(2)6-13-10(3)7-14-4/h8-11H,5-7H2,1-4H3
InChIKeyVRUJZAUWWWDUCV-UHFFFAOYSA-N
XLogP1.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 20834287) is 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol is CSCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is VRUJZAUWWWDUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-8(11)5-12-9(2)6-13-10(3)7-14-4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 20834287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).