1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane

C10H16O2S2 — CID 23529862

IUPAC1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane
SMILESC1COC2(CCC3(CC2)SCCS3)O1
InChIInChI=1S/C10H16O2S2/c1-3-10(13-7-8-14-10)4-2-9(1)11-5-6-12-9/h1-8H2
InChIKeyAPPKHFXWULCLJX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.48
Rot. Bonds

About 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane

1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane (PubChem CID 23529862) has the molecular formula C10H16O2S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane.

Molecular Properties

Compound Name1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane
PubChem CID23529862
Molecular FormulaC10H16O2S2
Molecular Weight232.37 g/mol
Exact Mass232.06
IUPAC Name1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane
SMILESC1COC2(CCC3(CC2)SCCS3)O1
InChIInChI=1S/C10H16O2S2/c1-3-10(13-7-8-14-10)4-2-9(1)11-5-6-12-9/h1-8H2
InChIKeyAPPKHFXWULCLJX-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane?
The IUPAC name of 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane (CID 23529862) is 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane.
What is the SMILES notation for 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane?
The canonical SMILES for 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane is C1COC2(CCC3(CC2)SCCS3)O1.
What is the InChIKey of 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane?
The InChIKey is APPKHFXWULCLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S2/c1-3-10(13-7-8-14-10)4-2-9(1)11-5-6-12-9/h1-8H2.
What are the key properties of 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane?
1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane has a molecular weight of 232.37 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9,12-dithiadispiro[4.2.48.25]tetradecane is sourced from PubChem (CID 23529862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).