2,5-dioxa-10-thiaspiro[3.7]undecane

C8H14O2S — CID 118210333

IUPAC2,5-dioxa-10-thiaspiro[3.7]undecane
SMILESC1CCSCC2(COC2)OC1
InChIInChI=1S/C8H14O2S/c1-2-4-11-7-8(10-3-1)5-9-6-8/h1-7H2
InChIKeyVGYVFIPSXZHJJP-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.30
Rot. Bonds

About 2,5-dioxa-10-thiaspiro[3.7]undecane

2,5-dioxa-10-thiaspiro[3.7]undecane (PubChem CID 118210333) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2,5-dioxa-10-thiaspiro[3.7]undecane.

Molecular Properties

Compound Name2,5-dioxa-10-thiaspiro[3.7]undecane
PubChem CID118210333
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2,5-dioxa-10-thiaspiro[3.7]undecane
SMILESC1CCSCC2(COC2)OC1
InChIInChI=1S/C8H14O2S/c1-2-4-11-7-8(10-3-1)5-9-6-8/h1-7H2
InChIKeyVGYVFIPSXZHJJP-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,10-dioxa-6-thiaspiro[3.7]undecane
CID 118210217
2,5-dioxa-8-thiaspiro[3.7]undecane
CID 118210763
2-oxa-6-thiaspiro[3.6]decane
CID 118210443
oxane;thiane
CID 67464677
7,11-dioxaspiro[5.6]dodecane
CID 122692865
2-oxa-6-thiaspiro[3.4]octane
CID 118210159
5,8-dioxa-2-thiaspiro[3.7]undecane
CID 118210825
tetrakis(2-methylpropane);oxane;oxolane;thiane;thiolane
CID 161150896
2,4,8-trioxaspiro[6.6]tridecane
CID 146474220
2,6,12,15,18-pentaoxaspiro[3.15]nonadecane
CID 152755531
1,8-dioxaspiro[2.6]nonane
CID 88652146
thiane
CID 70180368

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxa-10-thiaspiro[3.7]undecane?
The IUPAC name of 2,5-dioxa-10-thiaspiro[3.7]undecane (CID 118210333) is 2,5-dioxa-10-thiaspiro[3.7]undecane.
What is the SMILES notation for 2,5-dioxa-10-thiaspiro[3.7]undecane?
The canonical SMILES for 2,5-dioxa-10-thiaspiro[3.7]undecane is C1CCSCC2(COC2)OC1.
What is the InChIKey of 2,5-dioxa-10-thiaspiro[3.7]undecane?
The InChIKey is VGYVFIPSXZHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-4-11-7-8(10-3-1)5-9-6-8/h1-7H2.
What are the key properties of 2,5-dioxa-10-thiaspiro[3.7]undecane?
2,5-dioxa-10-thiaspiro[3.7]undecane has a molecular weight of 174.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxa-10-thiaspiro[3.7]undecane is sourced from PubChem (CID 118210333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).