6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide

C6H10O3S — CID 59031027

IUPAC6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide
SMILESO=S1OCC2(CCC2)CO1
InChIInChI=1S/C6H10O3S/c7-10-8-4-6(5-9-10)2-1-3-6/h1-5H2
InChIKeyGXZXLFVEGVDXMG-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.78
Rot. Bonds

About 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide

6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide (PubChem CID 59031027) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide.

Molecular Properties

Compound Name6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide
PubChem CID59031027
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide
SMILESO=S1OCC2(CCC2)CO1
InChIInChI=1S/C6H10O3S/c7-10-8-4-6(5-9-10)2-1-3-6/h1-5H2
InChIKeyGXZXLFVEGVDXMG-UHFFFAOYSA-N
XLogP0.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide?
The IUPAC name of 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide (CID 59031027) is 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide.
What is the SMILES notation for 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide?
The canonical SMILES for 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide is O=S1OCC2(CCC2)CO1.
What is the InChIKey of 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide?
The InChIKey is GXZXLFVEGVDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-10-8-4-6(5-9-10)2-1-3-6/h1-5H2.
What are the key properties of 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide?
6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide has a molecular weight of 162.21 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide is sourced from PubChem (CID 59031027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).