58134-00-2
2-METHYL-2-(4-METHYLPENT-3-ENYL)-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
Name2-METHYL-2-(4-METHYLPENT-3-ENYL)-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
1Identification
【Name】
2-METHYL-2-(4-METHYLPENT-3-ENYL)-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
【CAS】
【MDL】
MFCD08752419
【English Synonyms】
【Formula】
C16 H22 O2
【MolWeight】
246.348
【Inchi】
InChI=1S/C16H22O2/c1-12(2)6-5-10-16(3)11-9-13-14(17)7-4-8-15(13)18-16/h6,9,11H,4-5,7-8,10H2,1-3H3
【InChIKey】
InChIKey=KVABLNSGPPDNJB-UHFFFAOYSA-N
【SMILES】
CC(=CCCC1(C=CC2=C(O1)CCCC2=O)C)C
【MOL File】
2-METHYL-2-(4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-2-(4-METHYLPENT-3-ENYL)-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE.cml