(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol

C8H14O2S — CID 15370555

IUPAC(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol
SMILESC[C@@]1(O)CCC[C@]12OCCS2
InChIInChI=1S/C8H14O2S/c1-7(9)3-2-4-8(7)10-5-6-11-8/h9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyXZFARHFIFGUFDK-HTQZYQBOSA-N
MW174.26 g/mol
LogP1.38
Rot. Bonds

About (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol

(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol (PubChem CID 15370555) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol
PubChem CID15370555
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol
SMILESC[C@@]1(O)CCC[C@]12OCCS2
InChIInChI=1S/C8H14O2S/c1-7(9)3-2-4-8(7)10-5-6-11-8/h9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyXZFARHFIFGUFDK-HTQZYQBOSA-N
XLogP1.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol?
The IUPAC name of (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol (CID 15370555) is (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol.
What is the SMILES notation for (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol?
The canonical SMILES for (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol is C[C@@]1(O)CCC[C@]12OCCS2.
What is the InChIKey of (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol?
The InChIKey is XZFARHFIFGUFDK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(9)3-2-4-8(7)10-5-6-11-8/h9H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol?
(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol has a molecular weight of 174.26 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 15370555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).