1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide

C7H12O4S — CID 160863601

IUPAC1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
SMILESO=S1(=O)CCC2(CC1)OCCO2
InChIInChI=1S/C7H12O4S/c8-12(9)5-1-7(2-6-12)10-3-4-11-7/h1-6H2
InChIKeySKUTXYIMBANVPK-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.06
Rot. Bonds

About 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide

1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide (PubChem CID 160863601) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide.

Molecular Properties

Compound Name1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
PubChem CID160863601
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
SMILESO=S1(=O)CCC2(CC1)OCCO2
InChIInChI=1S/C7H12O4S/c8-12(9)5-1-7(2-6-12)10-3-4-11-7/h1-6H2
InChIKeySKUTXYIMBANVPK-UHFFFAOYSA-N
XLogP-0.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
The IUPAC name of 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide (CID 160863601) is 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide.
What is the SMILES notation for 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
The canonical SMILES for 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide is O=S1(=O)CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
The InChIKey is SKUTXYIMBANVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c8-12(9)5-1-7(2-6-12)10-3-4-11-7/h1-6H2.
What are the key properties of 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide has a molecular weight of 192.24 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide is sourced from PubChem (CID 160863601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).