(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol

C10H18O3 — CID 10888666

IUPAC(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
SMILESCC[C@@H]1O[C@@H]2CCCO[C@H]2C[C@H]1O
InChIInChI=1S/C10H18O3/c1-2-8-7(11)6-10-9(13-8)4-3-5-12-10/h7-11H,2-6H2,1H3/t7-,8+,9-,10+/m1/s1
InChIKeyVAZHDPBDEAPBAL-RGOKHQFPSA-N
MW186.25 g/mol
LogP1.09
Rot. Bonds1

About (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol

(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol (PubChem CID 10888666) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol.

Molecular Properties

Compound Name(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
PubChem CID10888666
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
SMILESCC[C@@H]1O[C@@H]2CCCO[C@H]2C[C@H]1O
InChIInChI=1S/C10H18O3/c1-2-8-7(11)6-10-9(13-8)4-3-5-12-10/h7-11H,2-6H2,1H3/t7-,8+,9-,10+/m1/s1
InChIKeyVAZHDPBDEAPBAL-RGOKHQFPSA-N
XLogP1.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-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 (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
The IUPAC name of (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol (CID 10888666) is (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol.
What is the SMILES notation for (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
The canonical SMILES for (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol is CC[C@@H]1O[C@@H]2CCCO[C@H]2C[C@H]1O.
What is the InChIKey of (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
The InChIKey is VAZHDPBDEAPBAL-RGOKHQFPSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-8-7(11)6-10-9(13-8)4-3-5-12-10/h7-11H,2-6H2,1H3/t7-,8+,9-,10+/m1/s1.
What are the key properties of (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol is sourced from PubChem (CID 10888666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).