7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane

C12H14O2S — CID 17362

IUPAC7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane
SMILESc1ccc(C2OCC3(CO2)CSC3)cc1
InChIInChI=1S/C12H14O2S/c1-2-4-10(5-3-1)11-13-6-12(7-14-11)8-15-9-12/h1-5,11H,6-9H2
InChIKeyVPXKHFQWJYIDSB-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.47
Rot. Bonds1

About 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane

7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane (PubChem CID 17362) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane.

Molecular Properties

Compound Name7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane
PubChem CID17362
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane
SMILESc1ccc(C2OCC3(CO2)CSC3)cc1
InChIInChI=1S/C12H14O2S/c1-2-4-10(5-3-1)11-13-6-12(7-14-11)8-15-9-12/h1-5,11H,6-9H2
InChIKeyVPXKHFQWJYIDSB-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
The IUPAC name of 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane (CID 17362) is 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane.
What is the SMILES notation for 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
The canonical SMILES for 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane is c1ccc(C2OCC3(CO2)CSC3)cc1.
What is the InChIKey of 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
The InChIKey is VPXKHFQWJYIDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-2-4-10(5-3-1)11-13-6-12(7-14-11)8-15-9-12/h1-5,11H,6-9H2.
What are the key properties of 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane has a molecular weight of 222.31 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane is sourced from PubChem (CID 17362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).