(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one

C11H12O2 — CID 15378024

IUPAC(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
SMILESO=C1C=CC[C@H]2C=CC=C[C@]1(O)C2
InChIInChI=1S/C11H12O2/c12-10-6-3-5-9-4-1-2-7-11(10,13)8-9/h1-4,6-7,9,13H,5,8H2/t9-,11+/m1/s1
InChIKeyOXZJQXLBZNLJAL-KOLCDFICSA-N
MW176.22 g/mol
LogP1.38
Rot. Bonds

About (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one

(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one (PubChem CID 15378024) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one.

Molecular Properties

Compound Name(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
PubChem CID15378024
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
SMILESO=C1C=CC[C@H]2C=CC=C[C@]1(O)C2
InChIInChI=1S/C11H12O2/c12-10-6-3-5-9-4-1-2-7-11(10,13)8-9/h1-4,6-7,9,13H,5,8H2/t9-,11+/m1/s1
InChIKeyOXZJQXLBZNLJAL-KOLCDFICSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140987930
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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
The IUPAC name of (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one (CID 15378024) is (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one.
What is the SMILES notation for (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
The canonical SMILES for (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one is O=C1C=CC[C@H]2C=CC=C[C@]1(O)C2.
What is the InChIKey of (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
The InChIKey is OXZJQXLBZNLJAL-KOLCDFICSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-6-3-5-9-4-1-2-7-11(10,13)8-9/h1-4,6-7,9,13H,5,8H2/t9-,11+/m1/s1.
What are the key properties of (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one is sourced from PubChem (CID 15378024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).