Basic information
- CAS
58647-65-7- Standard SMILES
C[Si]1(C)OCCN(CCOC(=O)C(c2ccccc2)c2ccccc2)CCO1- InChIKey
XNZQSIJTBPUZMS-UHFFFAOYSA-N- Molecular formula
- C22H29NO4Si
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.18658494
Names & identifiers
- Preferred name
- 1,3-Dioxa-6-aza-2-silacyclooctane-6-ethanol, 2,2-dimethyl-, diphenylacetate (ester)
- IUPAC
- 2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl 2,2-diphenylacetate
Names & synonyms
BRN 59890821,3-Dioxa-6-aza-2-silacyclooctane-6-ethanol, 2,2-dimethyl-, diphenylacetate (ester)58647-65-7DTXSID502073452,2-Dimethyl-1,3-dioxa-6-aza-2-silacyclooctane-6-ethanol diphenylacetate (ester)Acetic acid, diphenyl-, ester with 2,2-dimethyl-1,3-dioxa-6-aza-2-silacyclooctane-6-ethanolBenzeneacetic acid, alpha-phenyl-, 2-(2,2-dimethyl-1,3-dioxa-6-aza-2-silacyclooct-6-yl)ethyl esterRefChem:218799DTXCID501298362-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl diphenylacetate
Database identifiers
- CAS
58647-65-7- PubChem CID
- 42801
- DTXSID
DTXSID50207345- Nikkaji
- J69.164J
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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