2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid

C17H30O2 — CID 55185786

IUPAC2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCCCCCCCCC1(C(=O)O)CC2CCC1C2
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-11-17(16(18)19)13-14-9-10-15(17)12-14/h14-15H,2-13H2,1H3,(H,18,19)
InChIKeyOGRGGBZYSKGJSM-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.02
Rot. Bonds9

About 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid

2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 55185786) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID55185786
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCCCCCCCCC1(C(=O)O)CC2CCC1C2
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-11-17(16(18)19)13-14-9-10-15(17)12-14/h14-15H,2-13H2,1H3,(H,18,19)
InChIKeyOGRGGBZYSKGJSM-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 55185786) is 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid is CCCCCCCCCC1(C(=O)O)CC2CCC1C2.
What is the InChIKey of 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is OGRGGBZYSKGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-11-17(16(18)19)13-14-9-10-15(17)12-14/h14-15H,2-13H2,1H3,(H,18,19).
What are the key properties of 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid?
2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 266.42 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 55185786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).