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

C13H28O4S — CID 20834289

IUPAC1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESCSCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C13H28O4S/c1-10(14)6-15-11(2)7-16-12(3)8-17-13(4)9-18-5/h10-14H,6-9H2,1-5H3
InChIKeySOVDEPQXJZGPIZ-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.95
Rot. Bonds11

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

1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol (PubChem CID 20834289) has the molecular formula C13H28O4S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol
PubChem CID20834289
Molecular FormulaC13H28O4S
Molecular Weight280.43 g/mol
Exact Mass280.17
IUPAC Name1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESCSCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C13H28O4S/c1-10(14)6-15-11(2)7-16-12(3)8-17-13(4)9-18-5/h10-14H,6-9H2,1-5H3
InChIKeySOVDEPQXJZGPIZ-UHFFFAOYSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol (CID 20834289) is 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol is CSCC(C)OCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The InChIKey is SOVDEPQXJZGPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4S/c1-10(14)6-15-11(2)7-16-12(3)8-17-13(4)9-18-5/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?
1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol has a molecular weight of 280.43 g/mol, XLogP of 1.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 20834289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).