(1S,4S)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-one

HCID 641920

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 17957-95-8
Standard SMILES: CC1(C)C[C@]2(C)C[C@H]1CC2=O
InChIKey: BGKHEYBJLXKPGX-XCBNKYQSSA-N
Molecular formula: C10H16O
Average molar mass: 152.23 g/mol
Monoisotopic mass: 152.12011513

Names & identifiers

Preferred name: (1S,4S)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-one
IUPAC: (1S,4S)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-one

Names & synonyms

(1S,4S)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-one17957-95-8bicyclo[2.2.1]heptan-2-one, 1,5,5-trimethyl-, (1S,4S)-(1S,4S)-1,5,5-Trimethylbicyclo(2.2.1)heptan-2-onebicyclo(2.2.1)heptan-2-one, 1,5,5-trimethyl-, (1S,4S)-RefChem:205257InChI=1/C10H16O/c1-9(2)6-10(3)5-7(9)4-8(10)11/h7H,4-6H2,1-3H3/t7-,10+/m1/sDTXSID101232257

Database identifiers

CAS: 17957-95-8
PubChem CID: 641920
DTXSID: DTXSID101232257
Nikkaji: J3.209.611E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 217

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…