2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C15H24O2 — CID 55106818

IUPAC2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(CC2CCCCC2)CC2CCC1C2
InChIInChI=1S/C15H24O2/c16-14(17)15(9-11-4-2-1-3-5-11)10-12-6-7-13(15)8-12/h11-13H,1-10H2,(H,16,17)
InChIKeyBJYQPAPCSODGJP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.85
Rot. Bonds3

About 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 55106818) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID55106818
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(CC2CCCCC2)CC2CCC1C2
InChIInChI=1S/C15H24O2/c16-14(17)15(9-11-4-2-1-3-5-11)10-12-6-7-13(15)8-12/h11-13H,1-10H2,(H,16,17)
InChIKeyBJYQPAPCSODGJP-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 55106818) is 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1(CC2CCCCC2)CC2CCC1C2.
What is the InChIKey of 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is BJYQPAPCSODGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c16-14(17)15(9-11-4-2-1-3-5-11)10-12-6-7-13(15)8-12/h11-13H,1-10H2,(H,16,17).
What are the key properties of 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 236.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 55106818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).