1,6-dioxa-9-thiaspiro[4.5]decane

C7H12O2S — CID 139291519

IUPAC1,6-dioxa-9-thiaspiro[4.5]decane
SMILESC1COC2(C1)CSCCO2
InChIInChI=1S/C7H12O2S/c1-2-7(8-3-1)6-10-5-4-9-7/h1-6H2
InChIKeyZOEICSXVOXALNT-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.26
Rot. Bonds

About 1,6-dioxa-9-thiaspiro[4.5]decane

1,6-dioxa-9-thiaspiro[4.5]decane (PubChem CID 139291519) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1,6-dioxa-9-thiaspiro[4.5]decane.

Molecular Properties

Compound Name1,6-dioxa-9-thiaspiro[4.5]decane
PubChem CID139291519
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1,6-dioxa-9-thiaspiro[4.5]decane
SMILESC1COC2(C1)CSCCO2
InChIInChI=1S/C7H12O2S/c1-2-7(8-3-1)6-10-5-4-9-7/h1-6H2
InChIKeyZOEICSXVOXALNT-UHFFFAOYSA-N
XLogP1.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
1,4-Dioxa-7-thiaspiro[4.5]decane
CID 642978
(2S,5R)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 12992188
(2R,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 134861164
(2S,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 12992189
1,4-Dioxa-6-thiaspiro[4.5]decane
CID 145672929

Frequently Asked Questions

What is the IUPAC name of 1,6-dioxa-9-thiaspiro[4.5]decane?
The IUPAC name of 1,6-dioxa-9-thiaspiro[4.5]decane (CID 139291519) is 1,6-dioxa-9-thiaspiro[4.5]decane.
What is the SMILES notation for 1,6-dioxa-9-thiaspiro[4.5]decane?
The canonical SMILES for 1,6-dioxa-9-thiaspiro[4.5]decane is C1COC2(C1)CSCCO2.
What is the InChIKey of 1,6-dioxa-9-thiaspiro[4.5]decane?
The InChIKey is ZOEICSXVOXALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-7(8-3-1)6-10-5-4-9-7/h1-6H2.
What are the key properties of 1,6-dioxa-9-thiaspiro[4.5]decane?
1,6-dioxa-9-thiaspiro[4.5]decane has a molecular weight of 160.24 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxa-9-thiaspiro[4.5]decane is sourced from PubChem (CID 139291519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).