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

C16H34O5S — CID 20834291

IUPAC1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESCSCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C16H34O5S/c1-12(17)7-18-13(2)8-19-14(3)9-20-15(4)10-21-16(5)11-22-6/h12-17H,7-11H2,1-6H3
InChIKeyVXINBTWIRFESFQ-UHFFFAOYSA-N
MW338.51 g/mol
LogP2.35
Rot. Bonds14

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

1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol (PubChem CID 20834291) has the molecular formula C16H34O5S and a molecular weight of 338.51 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
PubChem CID20834291
Molecular FormulaC16H34O5S
Molecular Weight338.51 g/mol
Exact Mass338.21
IUPAC Name1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESCSCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C16H34O5S/c1-12(17)7-18-13(2)8-19-14(3)9-20-15(4)10-21-16(5)11-22-6/h12-17H,7-11H2,1-6H3
InChIKeyVXINBTWIRFESFQ-UHFFFAOYSA-N
XLogP2.35
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol (CID 20834291) is 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol is CSCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The InChIKey is VXINBTWIRFESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O5S/c1-12(17)7-18-13(2)8-19-14(3)9-20-15(4)10-21-16(5)11-22-6/h12-17H,7-11H2,1-6H3.
What are the key properties of 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol has a molecular weight of 338.51 g/mol, XLogP of 2.35, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 20834291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).