2-(2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid
Basic information
- CAS
100345-13-9- Standard SMILES
CCCCCC(C)(C)c1ccc(OCCOCCOCC(=O)O)c(Cl)c1- InChIKey
SSAUCPAXYGUHEB-UHFFFAOYSA-N- Molecular formula
- C20H31ClO5
- Average molar mass
- 386.9 g/mol
- Monoisotopic mass
- 386.1860018
Names & identifiers
- Preferred name
- 2-(2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid
- IUPAC
- 2-[2-[2-[2-chloro-4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]acetic acid
Names & synonyms
100345-13-92-(2-(2-(2-Chloro-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acidDTXSID40143203(2-{2-[2-chloro-4-(2-methylheptan-2-yl)phenoxy]ethoxy}ethoxy)acetic acid
Database identifiers
- CAS
100345-13-9- PubChem CID
- 180876
- DTXSID
DTXSID40143203
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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