29-[4-(6-Methylheptyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol
Basic information
- CAS
2315-66-4- Standard SMILES
CC(C)CCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1- InChIKey
FTKHKYJEPWRVHX-UHFFFAOYSA-N- Molecular formula
- C34H62O11
- Average molar mass
- 646.8 g/mol
- Monoisotopic mass
- 646.42921279
Names & identifiers
- Preferred name
- 29-[4-(6-Methylheptyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methylheptyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Names & synonyms
DTXSID4086290229-[4-(6-methylheptyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-olNS00121432
Database identifiers
- CAS
2315-66-4- PubChem CID
- 16845
- DTXSID
DTXSID40862902- Nikkaji
- J1.363.952C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 36
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…