(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol

C11H16O2 — CID 98083944

IUPAC(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
SMILESO[C@@H]1C[C@H]2[C@@H]3C[C@H](O)[C@@H]4[C@@H]3C[C@H]2[C@@H]41
InChIInChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10-,11+/m0/s1
InChIKeySGJHAJIYHXLQSR-ZVGJFNOTSA-N
MW180.25 g/mol
LogP0.63
Rot. Bonds

About (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol

(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol (PubChem CID 98083944) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol.

Molecular Properties

Compound Name(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
PubChem CID98083944
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
SMILESO[C@@H]1C[C@H]2[C@@H]3C[C@H](O)[C@@H]4[C@@H]3C[C@H]2[C@@H]41
InChIInChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10-,11+/m0/s1
InChIKeySGJHAJIYHXLQSR-ZVGJFNOTSA-N
XLogP0.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol?
The IUPAC name of (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol (CID 98083944) is (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol.
What is the SMILES notation for (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol?
The canonical SMILES for (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol is O[C@@H]1C[C@H]2[C@@H]3C[C@H](O)[C@@H]4[C@@H]3C[C@H]2[C@@H]41.
What is the InChIKey of (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol?
The InChIKey is SGJHAJIYHXLQSR-ZVGJFNOTSA-N. The full InChI is InChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10-,11+/m0/s1.
What are the key properties of (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol?
(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol has a molecular weight of 180.25 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol is sourced from PubChem (CID 98083944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).