tricyclo[2.2.0.02,6]hexane-1-carboxylic acid

C7H8O2 — CID 55302516

IUPACtricyclo[2.2.0.02,6]hexane-1-carboxylic acid
SMILESO=C(O)C12C3CC1C2C3
InChIInChI=1S/C7H8O2/c8-6(9)7-3-1-4(7)5(7)2-3/h3-5H,1-2H2,(H,8,9)
InChIKeyWXZILJYLCDTVOH-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.73
Rot. Bonds1

About tricyclo[2.2.0.02,6]hexane-1-carboxylic acid

tricyclo[2.2.0.02,6]hexane-1-carboxylic acid (PubChem CID 55302516) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is tricyclo[2.2.0.02,6]hexane-1-carboxylic acid.

Molecular Properties

Compound Nametricyclo[2.2.0.02,6]hexane-1-carboxylic acid
PubChem CID55302516
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Nametricyclo[2.2.0.02,6]hexane-1-carboxylic acid
SMILESO=C(O)C12C3CC1C2C3
InChIInChI=1S/C7H8O2/c8-6(9)7-3-1-4(7)5(7)2-3/h3-5H,1-2H2,(H,8,9)
InChIKeyWXZILJYLCDTVOH-UHFFFAOYSA-N
XLogP0.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 58749444
(1S,2S,4S)-5,5-dimethylbicyclo[2.1.1]hexane-2-carboxylic acid
CID 98513301
1-[(1S,3S,6R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]ethanone
CID 154497426
(1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 90473657
cubane-1-carboxylic acid;hydrochloride
CID 70462969
2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
CID 169432154
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497
(1R,2R,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 102130555
(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 67232659
4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxylic acid
CID 141049820

Frequently Asked Questions

What is the IUPAC name of tricyclo[2.2.0.02,6]hexane-1-carboxylic acid?
The IUPAC name of tricyclo[2.2.0.02,6]hexane-1-carboxylic acid (CID 55302516) is tricyclo[2.2.0.02,6]hexane-1-carboxylic acid.
What is the SMILES notation for tricyclo[2.2.0.02,6]hexane-1-carboxylic acid?
The canonical SMILES for tricyclo[2.2.0.02,6]hexane-1-carboxylic acid is O=C(O)C12C3CC1C2C3.
What is the InChIKey of tricyclo[2.2.0.02,6]hexane-1-carboxylic acid?
The InChIKey is WXZILJYLCDTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-6(9)7-3-1-4(7)5(7)2-3/h3-5H,1-2H2,(H,8,9).
What are the key properties of tricyclo[2.2.0.02,6]hexane-1-carboxylic acid?
tricyclo[2.2.0.02,6]hexane-1-carboxylic acid has a molecular weight of 124.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[2.2.0.02,6]hexane-1-carboxylic acid is sourced from PubChem (CID 55302516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).