1.0 2010-04-08 22:10:57 UTC 2019-11-26 03:09:13 UTC FDB013884 5-Isopropylbicyclo[3.1.0]hexan-2-one Constituent of various plant subspecies including Artemisia species, Daucus carota (carrot). 5-Isopropylbicyclo[3.1.0]hexan-2-one is found in herbs and spices and root vegetables. 5-(1-Methylethyl)-bicyclo(3.1.0)hexan-2-one 5-(1-Methylethyl)-bicyclo[3.1.0]hexan-2-one 5-(1-Methylethyl)bicyclo[3.1.0]hexan-2-one, 9CI 5-Isopropyl-bicyclo[3.1.0]hexan-2-one 5-Isopropylbicyclo(3.1.0)hexan-2-one Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)- Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)- Bicyclo[3.1.0]hexan-2-one, 5-isopropyl- Sabina ketone Sabinaketone Sabine ketone C9H14O 138.2069 138.10446507 5-(propan-2-yl)bicyclo[3.1.0]hexan-2-one sabinaketone 513-20-2 CC(C)C12CC1C(=O)CC2 InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3 MDDYCNAAAZKNAJ-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homopolycyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Hydrocarbon derivative Ketone Organic oxide logp 1.53 ALOGPS logs -1.82 ALOGPS solubility 2.11e+00 g/l ALOGPS logp 2 ChemAxon pka_strongest_acidic 19.9 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 5-(propan-2-yl)bicyclo[3.1.0]hexan-2-one ChemAxon average_mass 138.2069 ChemAxon mono_mass 138.10446507 ChemAxon smiles CC(C)C12CC1C(=O)CC2 ChemAxon formula C9H14O ChemAxon inchi InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3 ChemAxon inchikey MDDYCNAAAZKNAJ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 39.99 ChemAxon polarizability 16.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21488 Specdb::CMs 136577 Specdb::CMs 144311 Specdb::MsMs 97326 Specdb::MsMs 97327 Specdb::MsMs 97328 Specdb::MsMs 162021 Specdb::MsMs 162022 Specdb::MsMs 162023 Specdb::MsMs 2801890 Specdb::MsMs 2801891 Specdb::MsMs 2801892 Specdb::MsMs 2879966 Specdb::MsMs 2879967 Specdb::MsMs 2879968 Specdb::MsIr 6862 Specdb::MsIr 6863 Specdb::NmrOneD 130618 Specdb::NmrOneD 130619 Specdb::NmrOneD 130620 Specdb::NmrOneD 130621 Specdb::NmrOneD 130622 Specdb::NmrOneD 130623 Specdb::NmrOneD 130624 Specdb::NmrOneD 130625 Specdb::NmrOneD 130626 Specdb::NmrOneD 130627 Specdb::NmrOneD 130628 Specdb::NmrOneD 130629 Specdb::NmrOneD 130630 Specdb::NmrOneD 130631 Specdb::NmrOneD 130632 Specdb::NmrOneD 130633 Specdb::NmrOneD 130634 Specdb::NmrOneD 130635 Specdb::NmrOneD 130636 Specdb::NmrOneD 130637 HMDB35229 #<Reference:0x000055ce305762d8> Herbs and Spices Unknown generic Root vegetables Unknown generic