5-Ethyltricyclo[3.3.1.13,7]decane-1,3-diacetic acid
Basic information
- CAS
101821-82-3- Standard SMILES
CCC12CC3CC(CC(=O)O)(C1)CC(CC(=O)O)(C3)C2- InChIKey
CXDOULXPKQTMBE-UHFFFAOYSA-N- Molecular formula
- C16H24O4
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.16745924
Names & identifiers
- Preferred name
- 5-Ethyltricyclo[3.3.1.13,7]decane-1,3-diacetic acid
- IUPAC
- 2-[3-(carboxymethyl)-5-ethyl-1-adamantyl]acetic acid
Names & synonyms
101821-82-35-Ethyltricyclo[3.3.1.13,7]decane-1,3-diacetic acid5-Ethyltricyclo(3.3.1.13,7)decane-1,3-diacetic acidRefChem:3030352,2'-(5-ethyladamantane-1,3-diyl)diacetic acidDTXSID001222877AKOS004121858ST509839302-[3-(carboxymethyl)-5-ethyladamantanyl]acetic acid2,2'-(5-Ethyltricyclo[3.3.1.1~3,7~]decane-1,3-diyl)diacetic acid
Database identifiers
- CAS
101821-82-3- PubChem CID
- 3835995
- DTXSID
DTXSID001222877
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…