1,2-Dihexylcyclopropene-3-carboxylic acid
Basic information
- CAS
54467-87-7- Standard SMILES
CCCCCCC1=C(CCCCCC)C1C(=O)O- InChIKey
HIZHTBNZCIJIHX-UHFFFAOYSA-N- Molecular formula
- C16H28O2
- Average molar mass
- 252.39 g/mol
- Monoisotopic mass
- 252.20893013
Names & identifiers
- Preferred name
- 1,2-Dihexylcyclopropene-3-carboxylic acid
- IUPAC
- 2,3-dihexylcycloprop-2-ene-1-carboxylic acid
- English name
- 2,3-Dihexyl-2-cyclopropene-1-carboxylic acid
- Molecular formula
- C16H28O2
- Molecular weight
- 252.39
Names & synonyms
54467-87-72,3-Dihexyl-2-cyclopropene-1-carboxylic acid1,2-Dihexylcyclopropene-3-carboxylic acid2,3-dihexylcycloprop-2-ene-1-carboxylic acidDTXSID20336777HIZHTBNZCIJIHX-UHFFFAOYSA-NDB-2603032,3-Dihexyl-2-cyclopropene-1-carboxylic acid #2-Cyclopropene-1-carboxylic acid, 2,3-dihexyl-
Database identifiers
- CAS
54467-87-7- PubChem CID
- 536231
- DTXSID
DTXSID20336777
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…