58322-11-5
(1R,3AR,7AR)-1-((2R,5S)-5,6-DIMETHYLHEPTAN-2-YL)-7A-METHYLHEXAHYDRO-1H-INDEN-4(2H)-ONE
Name
(1R,3AR,7AR)-1-((2R,5S)-5,6-DIMETHYLHEPTAN-2-YL)-7A-METHYLHEXAHYDRO-1H-INDEN-4(2H)-ONE
Formula
C19 H34 O
MolWeight
278.477
1Identification
【Name】
(1R,3AR,7AR)-1-((2R,5S)-5,6-DIMETHYLHEPTAN-2-YL)-7A-METHYLHEXAHYDRO-1H-INDEN-4(2H)-ONE
【CAS】
【MDL】
MFCD22573279
【English Synonyms】
【Formula】
C19 H34 O
【MolWeight】
278.477
【Inchi】
InChI=1S/C19H34O/c1-13(2)14(3)8-9-15(4)16-10-11-17-18(20)7-6-12-19(16,17)5/h13-17H,6-12H2,1-5H3/t14-,15+,16+,17-,19+/m0/s1
【InChIKey】
InChIKey=NXMQYXQIHOQZFZ-WAXPSYRMSA-N
【SMILES】
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:6.0
Bulk/Fine:F