(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol

C8H12O — CID 129413222

IUPAC(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
SMILESO[C@@H]1[C@@H]2CC=C[C@H]1CC2
InChIInChI=1S/C8H12O/c9-8-6-2-1-3-7(8)5-4-6/h1-2,6-9H,3-5H2/t6-,7+,8-/m0/s1
InChIKeyPSCKEPQDJFJYIJ-RNJXMRFFSA-N
MW124.18 g/mol
LogP1.33
Rot. Bonds

About (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol

(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol (PubChem CID 129413222) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol.

Molecular Properties

Compound Name(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
PubChem CID129413222
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
SMILESO[C@@H]1[C@@H]2CC=C[C@H]1CC2
InChIInChI=1S/C8H12O/c9-8-6-2-1-3-7(8)5-4-6/h1-2,6-9H,3-5H2/t6-,7+,8-/m0/s1
InChIKeyPSCKEPQDJFJYIJ-RNJXMRFFSA-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'}

Analyze (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-bicyclo[3.2.0]hept-2-ene
CID 141236414
(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 12721347
2-(8-bicyclo[3.2.1]oct-2-enyl)ethanamine
CID 141058052
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
(1R,5S,6R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 11116010
(1R,5S,6S)-bicyclo[3.2.0]hept-3-en-6-ol
CID 11116009
(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene
CID 136742471
1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 89112583
(2E,8E)-tricyclo[10.3.0.05,7]pentadeca-2,8-diene
CID 142484210
bicyclo[3.2.1]oct-3-en-6-ol
CID 5314599
5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 13247528
5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 14415243

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?
The IUPAC name of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol (CID 129413222) is (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol.
What is the SMILES notation for (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?
The canonical SMILES for (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol is O[C@@H]1[C@@H]2CC=C[C@H]1CC2.
What is the InChIKey of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?
The InChIKey is PSCKEPQDJFJYIJ-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H12O/c9-8-6-2-1-3-7(8)5-4-6/h1-2,6-9H,3-5H2/t6-,7+,8-/m0/s1.
What are the key properties of (1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol?
(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-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,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol is sourced from PubChem (CID 129413222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).