4-Oxo-2-[(2-chloroethoxy)methoxy]adamantane

HCID 69200737
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1C2CC3CC(C2)C(OCOCCCl)C1C3
InChIKey
DYFGREGYCWLLDN-UHFFFAOYSA-N
Molecular formula
C13H19ClO3
Average molar mass
258.74 g/mol
Monoisotopic mass
258.1022722

Names & identifiers

Preferred name
4-Oxo-2-[(2-chloroethoxy)methoxy]adamantane
IUPAC
4-(2-chloroethoxymethoxy)adamantan-2-one

Names & synonyms

SCHEMBL4811947DYFGREGYCWLLDN-UHFFFAOYSA-N4-oxo-2-[(2-chloroethoxy)methoxy]adamantane

Database identifiers

PubChem CID
69200737

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

Loading…