(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol

C8H12O — CID 12622748

IUPAC(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
SMILESO[C@H]1C[C@@H]2C=C[C@H]1CC2
InChIInChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-9H,2,4-5H2/t6-,7+,8+/m1/s1
InChIKeyKEXYAVHJBNJUCG-CSMHCCOUSA-N
MW124.18 g/mol
LogP1.33
Rot. Bonds

About (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol

(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol (PubChem CID 12622748) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol.

Molecular Properties

Compound Name(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
PubChem CID12622748
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
SMILESO[C@H]1C[C@@H]2C=C[C@H]1CC2
InChIInChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-9H,2,4-5H2/t6-,7+,8+/m1/s1
InChIKeyKEXYAVHJBNJUCG-CSMHCCOUSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,4R)-bicyclo[2.2.2]oct-5-en-2-ol?
The IUPAC name of (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol (CID 12622748) is (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol.
What is the SMILES notation for (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol?
The canonical SMILES for (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol is O[C@H]1C[C@@H]2C=C[C@H]1CC2.
What is the InChIKey of (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol?
The InChIKey is KEXYAVHJBNJUCG-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-9H,2,4-5H2/t6-,7+,8+/m1/s1.
What are the key properties of (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol?
(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol has a molecular weight of 124.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol is sourced from PubChem (CID 12622748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).