4-(5-Pentyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl)butanoic acid
Basic information
- CAS
41245-19-6- Standard SMILES
CCCCCC1C=CC2CCCC2C1CCCC(=O)O- InChIKey
CYQGLBVVGFKFJV-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 4-(5-Pentyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl)butanoic acid
- IUPAC
- 4-(5-pentyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl)butanoic acid
Names & synonyms
41245-19-6DTXSID707856304-(5-PENTYL-2,3,3A,4,5,7A-HEXAHYDRO-1H-INDEN-4-YL)BUTANOIC ACIDRefChem:288352DTXCID607363734-(5-pentyl-3a,4,5,7a-tetrahydro-4-indanyl)-butanoic acid
Database identifiers
- CAS
41245-19-6- PubChem CID
- 71361986
- DTXSID
DTXSID70785630
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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