Basic information
- CAS
15037-74-8- Standard SMILES
CCC(OC(=O)CCC(=O)O)C12CC3CC(CC(C3)C1)C2- InChIKey
KIUUQEXLYNUBTC-UHFFFAOYSA-N- Molecular formula
- C17H26O4
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.18310931
Names & identifiers
- Preferred name
- Succinic acid, mono(1-(1-adamantyl)propyl) ester
- IUPAC
- 4-[1-(1-adamantyl)propoxy]-4-oxobutanoic acid
- English name
- Succinic acid hydrogen 1-[1-(1-adamantyl)propyl] ester
- Molecular formula
- C17H26O4
- Molecular weight
- 294.39
Names & synonyms
BRN 256555315037-74-8Succinic acid, mono(1-(1-adamantyl)propyl) ester1-Adamantiletilcarbinolo, emisuccinato [Italian]1-Adamantiletilcarbinolo, emisuccinatoRefChem:3824114-[1-(1-adamantyl)propoxy]-4-oxobutanoic acidSuccinic acid hydrogen 1-[1-(1-adamantyl)propyl] esterDTXSID809339234-[1-(Adamantan-1-yl)propoxy]-4-oxobutanoic acidButanedioic acid, 1-(1-tricyclo[3.3.1.13,7]dec-1-ylpropyl) ester
Database identifiers
- CAS
15037-74-8- PubChem CID
- 64170
- DTXSID
DTXSID80933923- Nikkaji
- J90.565H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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