1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane

C6H12O4S — CID 134119053

IUPAC1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane
SMILESC1COS2(OC1)OCCCO2
InChIInChI=1S/C6H12O4S/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-6H2
InChIKeyHCSSLJPBEYRRFK-UHFFFAOYSA-N
MW180.22 g/mol
LogP1.32
Rot. Bonds

About 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane

1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane (PubChem CID 134119053) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane
PubChem CID134119053
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane
SMILESC1COS2(OC1)OCCCO2
InChIInChI=1S/C6H12O4S/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-6H2
InChIKeyHCSSLJPBEYRRFK-UHFFFAOYSA-N
XLogP1.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane?
The IUPAC name of 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane (CID 134119053) is 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane.
What is the SMILES notation for 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane?
The canonical SMILES for 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane is C1COS2(OC1)OCCCO2.
What is the InChIKey of 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane?
The InChIKey is HCSSLJPBEYRRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-6H2.
What are the key properties of 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane?
1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane has a molecular weight of 180.22 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,11-tetraoxa-6λ4-thiaspiro[5.5]undecane is sourced from PubChem (CID 134119053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).