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4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one

PropertiesImage
MNX_IDMNXM88795 Image of MNXM88795
referencechebi:78315
formulaC10H14O
global charge0
mol weight150.221
InChIKeyDCSCXTJOXBUFGB-UHFFFAOYSA-N
InChIInChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
SMILESCC1=CC(=O)C2CC1C2(C)C
MNX internals
InChI (mnx)InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7?,8? Image of MNXM88795
SMILES (mnx)[CH3:1][C:6]1=[CH:4][C:9](=[O:11])[CH:8]2[CH2:5][CH:7]1[C:10]2([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78315
chebi:78315
DCSCXTJOXBUFGB-UHFFFAOYSA-N 		4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
hmdb:HMDB0259787
DCSCXTJOXBUFGB-UHFFFAOYSA-N 		VERBENONE
4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
Verbenone, (+-)-isomer
Verbenone, (1R)-isomer
Verbenone, (1S)-isomer
verbenone

seed.compound:cpd06803
seedM:cpd06803
sabiork.compound:11998
sabiorkM:11998
kegg.compound:C09913
keggC:C09913
DCSCXTJOXBUFGB-UHFFFAOYSA-N 		Verbenone

keggC:M_C09913
seedM:M_cpd06803 		secondary/obsolete/fantasy identifier