5-Cyclohexylindan-1-carboxylic acid
Basic information
- CAS
28968-05-0- Standard SMILES
O=C(O)C1CCc2cc(C3CCCCC3)ccc21- InChIKey
BKEWDCUQDVDPHC-UHFFFAOYSA-N- Molecular formula
- C16H20O2
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.14632988
Names & identifiers
- Preferred name
- 5-Cyclohexylindan-1-carboxylic acid
- IUPAC
- 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
Names & synonyms
EM3RL46YYLTAI215TAI-2155-cyclohexylindan-1-carboxylic acid31962-05-7RefChem:107282728968-05-05-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid5-Cyclohexyl-1-indancarboxylic acid1-Indancarboxylic acid, 5-cyclohexyl-(+/-)-5-Cyclohexyl-1-indancarboxylic acidBRN 2055581
Show more names
1H-Indene-1-carboxylic acid, 5-cyclohexyl-2,3-dihydro-(+-)-5-Cyclohexylindan-1-carboxylic acid1-Indancarboxylic acid, 5-cyclohexyl-, (+-)-5-cyclohexylindane-1-carboxylic acidUNII-EM3RL46YYLSCHEMBL2473237DTXSID20951585TQP1433
Database identifiers
- CAS
28968-05-0、31962-05-7- PubChem CID
- 120107
- DTXSID
DTXSID20951585- UNII
- EM3RL46YYL
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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