(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol

C8H14O2 — CID 92974259

IUPAC(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
SMILESO[C@H]1CCCCC[C@@H]2O[C@@H]21
InChIInChI=1S/C8H14O2/c9-6-4-2-1-3-5-7-8(6)10-7/h6-9H,1-5H2/t6-,7-,8+/m0/s1
InChIKeyBPTGWPMLXFRPHK-BIIVOSGPSA-N
MW142.20 g/mol
LogP1.08
Rot. Bonds

About (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol

(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol (PubChem CID 92974259) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol.

Molecular Properties

Compound Name(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
PubChem CID92974259
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
SMILESO[C@H]1CCCCC[C@@H]2O[C@@H]21
InChIInChI=1S/C8H14O2/c9-6-4-2-1-3-5-7-8(6)10-7/h6-9H,1-5H2/t6-,7-,8+/m0/s1
InChIKeyBPTGWPMLXFRPHK-BIIVOSGPSA-N
XLogP1.08
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S,8R)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 11435006
(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
CID 11829468
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
(1R,2S,6S,8R,9S)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 99944902
(1S,2R,6S,8S,9R)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 129407476

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol?
The IUPAC name of (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol (CID 92974259) is (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol.
What is the SMILES notation for (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol?
The canonical SMILES for (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol is O[C@H]1CCCCC[C@@H]2O[C@@H]21.
What is the InChIKey of (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol?
The InChIKey is BPTGWPMLXFRPHK-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-4-2-1-3-5-7-8(6)10-7/h6-9H,1-5H2/t6-,7-,8+/m0/s1.
What are the key properties of (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol?
(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol is sourced from PubChem (CID 92974259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).