(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol

C8H14O2 — CID 100917499

IUPAC(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol
SMILESO[C@@H]1CCCC[C@@H]2O[C@@H]2C1
InChIInChI=1S/C8H14O2/c9-6-3-1-2-4-7-8(5-6)10-7/h6-9H,1-5H2/t6-,7+,8-/m1/s1
InChIKeyFHRVMGIEUUPKQO-GJMOJQLCSA-N
MW142.20 g/mol
LogP1.08
Rot. Bonds

About (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol

(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol (PubChem CID 100917499) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol.

Molecular Properties

Compound Name(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol
PubChem CID100917499
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol
SMILESO[C@@H]1CCCC[C@@H]2O[C@@H]2C1
InChIInChI=1S/C8H14O2/c9-6-3-1-2-4-7-8(5-6)10-7/h6-9H,1-5H2/t6-,7+,8-/m1/s1
InChIKeyFHRVMGIEUUPKQO-GJMOJQLCSA-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

(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12636256
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
3-(7-oxabicyclo[4.1.0]heptan-3-yl)cyclohexan-1-ol
CID 89082378
(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
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824

Frequently Asked Questions

What is the IUPAC name of (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol?
The IUPAC name of (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol (CID 100917499) is (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol.
What is the SMILES notation for (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol?
The canonical SMILES for (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol is O[C@@H]1CCCC[C@@H]2O[C@@H]2C1.
What is the InChIKey of (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol?
The InChIKey is FHRVMGIEUUPKQO-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-3-1-2-4-7-8(5-6)10-7/h6-9H,1-5H2/t6-,7+,8-/m1/s1.
What are the key properties of (1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol?
(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-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,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol is sourced from PubChem (CID 100917499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).