(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol

C8H14O2 — CID 15148369

IUPAC(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol
SMILESO[C@@H]1[C@@H]2CC[C@H]1[C@H](O)CC2
InChIInChI=1S/C8H14O2/c9-7-4-2-5-1-3-6(7)8(5)10/h5-10H,1-4H2/t5-,6+,7-,8-/m1/s1
InChIKeyYSFBOKRANRYWES-ULAWRXDQSA-N
MW142.20 g/mol
LogP0.53
Rot. Bonds

About (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol

(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol (PubChem CID 15148369) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol.

Molecular Properties

Compound Name(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol
PubChem CID15148369
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol
SMILESO[C@@H]1[C@@H]2CC[C@H]1[C@H](O)CC2
InChIInChI=1S/C8H14O2/c9-7-4-2-5-1-3-6(7)8(5)10/h5-10H,1-4H2/t5-,6+,7-,8-/m1/s1
InChIKeyYSFBOKRANRYWES-ULAWRXDQSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol?
The IUPAC name of (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol (CID 15148369) is (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol.
What is the SMILES notation for (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol?
The canonical SMILES for (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol is O[C@@H]1[C@@H]2CC[C@H]1[C@H](O)CC2.
What is the InChIKey of (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol?
The InChIKey is YSFBOKRANRYWES-ULAWRXDQSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-4-2-5-1-3-6(7)8(5)10/h5-10H,1-4H2/t5-,6+,7-,8-/m1/s1.
What are the key properties of (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol?
(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol has a molecular weight of 142.20 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol is sourced from PubChem (CID 15148369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).