2-Tert-butyl-6-chlorocyclohexanone

HCID 68680972
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)C1CCCC(Cl)C1=O
InChIKey
YWGVBWSGYICKHI-UHFFFAOYSA-N
Molecular formula
C10H17ClO
Average molar mass
188.69 g/mol
Monoisotopic mass
188.0967929

Names & identifiers

Preferred name
2-Tert-butyl-6-chlorocyclohexanone
IUPAC
2-tert-butyl-6-chlorocyclohexan-1-one

Names & synonyms

2-tert-butyl-6-chlorocyclohexanoneSCHEMBL3537061YWGVBWSGYICKHI-UHFFFAOYSA-N2-tert-butyl-6-chloro-cyclohexanone765940-46-3DB-365321

Database identifiers

PubChem CID
68680972

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Related reactions

17 records
New reaction record

Compound notes

Loading…