5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide

C5H8O3S — CID 10866493

IUPAC5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
SMILESO=S1OCC2(CC2)CO1
InChIInChI=1S/C5H8O3S/c6-9-7-3-5(1-2-5)4-8-9/h1-4H2
InChIKeyAISMUYPWEMPRTF-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.39
Rot. Bonds

About 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide

5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide (PubChem CID 10866493) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide.

Molecular Properties

Compound Name5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
PubChem CID10866493
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
SMILESO=S1OCC2(CC2)CO1
InChIInChI=1S/C5H8O3S/c6-9-7-3-5(1-2-5)4-8-9/h1-4H2
InChIKeyAISMUYPWEMPRTF-UHFFFAOYSA-N
XLogP0.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
The IUPAC name of 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide (CID 10866493) is 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide.
What is the SMILES notation for 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
The canonical SMILES for 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide is O=S1OCC2(CC2)CO1.
What is the InChIKey of 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
The InChIKey is AISMUYPWEMPRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-9-7-3-5(1-2-5)4-8-9/h1-4H2.
What are the key properties of 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide?
5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide has a molecular weight of 148.18 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide is sourced from PubChem (CID 10866493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).