(1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol

C11H20O3 — CID 11769524

IUPAC(1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol
SMILESCC[C@@]1(O)C[C@@]2(O)CCC[C@H](O2)[C@H]1C
InChIInChI=1S/C11H20O3/c1-3-10(12)7-11(13)6-4-5-9(14-11)8(10)2/h8-9,12-13H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1
InChIKeySJKUMTVHIJFKFL-LMLFDSFASA-N
MW200.28 g/mol
LogP1.42
Rot. Bonds1

About (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol

(1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol (PubChem CID 11769524) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol.

Molecular Properties

Compound Name(1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol
PubChem CID11769524
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol
SMILESCC[C@@]1(O)C[C@@]2(O)CCC[C@H](O2)[C@H]1C
InChIInChI=1S/C11H20O3/c1-3-10(12)7-11(13)6-4-5-9(14-11)8(10)2/h8-9,12-13H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1
InChIKeySJKUMTVHIJFKFL-LMLFDSFASA-N
XLogP1.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol?
The IUPAC name of (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol (CID 11769524) is (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol.
What is the SMILES notation for (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol?
The canonical SMILES for (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol is CC[C@@]1(O)C[C@@]2(O)CCC[C@H](O2)[C@H]1C.
What is the InChIKey of (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol?
The InChIKey is SJKUMTVHIJFKFL-LMLFDSFASA-N. The full InChI is InChI=1S/C11H20O3/c1-3-10(12)7-11(13)6-4-5-9(14-11)8(10)2/h8-9,12-13H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1.
What are the key properties of (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol?
(1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol has a molecular weight of 200.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,5S)-3-ethyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,3-diol is sourced from PubChem (CID 11769524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).