(1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol

C10H14O2 — CID 90666465

IUPAC(1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol
SMILESO[C@H]1C/C=C\CC[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C10H14O2/c11-9-5-3-1-2-4-8-6-7-10(9)12-8/h1,3,6-11H,2,4-5H2/b3-1-/t8-,9+,10-/m1/s1
InChIKeyCCKYANUTDWTJDR-WADQILMQSA-N
MW166.22 g/mol
LogP1.41
Rot. Bonds

About (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol

(1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol (PubChem CID 90666465) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol.

Molecular Properties

Compound Name(1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol
PubChem CID90666465
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol
SMILESO[C@H]1C/C=C\CC[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C10H14O2/c11-9-5-3-1-2-4-8-6-7-10(9)12-8/h1,3,6-11H,2,4-5H2/b3-1-/t8-,9+,10-/m1/s1
InChIKeyCCKYANUTDWTJDR-WADQILMQSA-N
XLogP1.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol?
The IUPAC name of (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol (CID 90666465) is (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol.
What is the SMILES notation for (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol?
The canonical SMILES for (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol is O[C@H]1C/C=C\CC[C@@H]2C=C[C@H]1O2.
What is the InChIKey of (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol?
The InChIKey is CCKYANUTDWTJDR-WADQILMQSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-3-1-2-4-8-6-7-10(9)12-8/h1,3,6-11H,2,4-5H2/b3-1-/t8-,9+,10-/m1/s1.
What are the key properties of (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol?
(1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol is sourced from PubChem (CID 90666465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).