2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane

C11H24O3S — CID 15167666

IUPAC2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane
SMILESCSCOC(COC(C)C)COC(C)C
InChIInChI=1S/C11H24O3S/c1-9(2)12-6-11(14-8-15-5)7-13-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyRYGJBWGPYWWADI-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.54
Rot. Bonds9

About 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane

2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane (PubChem CID 15167666) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane.

Molecular Properties

Compound Name2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane
PubChem CID15167666
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane
SMILESCSCOC(COC(C)C)COC(C)C
InChIInChI=1S/C11H24O3S/c1-9(2)12-6-11(14-8-15-5)7-13-10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyRYGJBWGPYWWADI-UHFFFAOYSA-N
XLogP2.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane?
The IUPAC name of 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane (CID 15167666) is 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane.
What is the SMILES notation for 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane?
The canonical SMILES for 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane is CSCOC(COC(C)C)COC(C)C.
What is the InChIKey of 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane?
The InChIKey is RYGJBWGPYWWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-9(2)12-6-11(14-8-15-5)7-13-10(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane?
2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane has a molecular weight of 236.38 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethoxy)-1,3-di(propan-2-yloxy)propane is sourced from PubChem (CID 15167666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).