5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid

C12H18O3 — CID 22456924

IUPAC5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCC1CC2C=CC1C2
InChIInChI=1S/C12H18O3/c13-11(7-12(14)15)4-3-10-6-8-1-2-9(10)5-8/h1-2,8-11,13H,3-7H2,(H,14,15)
InChIKeyOPDHPAYYOXSGNF-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.81
Rot. Bonds5

About 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid

5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid (PubChem CID 22456924) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid
PubChem CID22456924
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCC1CC2C=CC1C2
InChIInChI=1S/C12H18O3/c13-11(7-12(14)15)4-3-10-6-8-1-2-9(10)5-8/h1-2,8-11,13H,3-7H2,(H,14,15)
InChIKeyOPDHPAYYOXSGNF-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid (CID 22456924) is 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid is O=C(O)CC(O)CCC1CC2C=CC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid?
The InChIKey is OPDHPAYYOXSGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-11(7-12(14)15)4-3-10-6-8-1-2-9(10)5-8/h1-2,8-11,13H,3-7H2,(H,14,15).
What are the key properties of 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid?
5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid has a molecular weight of 210.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypentanoic acid is sourced from PubChem (CID 22456924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).