1.0 2016-09-30 22:31:00 UTC 2020-04-22 15:03:41 UTC BMDB0000453 BMDB00453 Delta-Hexanolactone Δ-hexanolactone Epsilon-Caprolactone (RS)-delta-Hexalactone 5-Hexanolide 5-Hydroxy-hexanoate 5-Hydroxy-hexanoic acid 5-Hydroxy-hexanoic acid lactone 5-Hydroxyhexanoate 5-Hydroxyhexanoic acid 5-Hydroxyhexanoic acid lactone 6-Methyl-D-valerolactone 6-Methylvalerolactone delta-Caprolactone delta-Hexalactone delta-Hexanolide delta-Methyl-delta-valerolactone Hexanolactone Tetrahydro-6-methyl-2H-pyran-2-one C6H10O2 114.1424 114.068079564 6-methyloxan-2-one hexanolactone 823-22-3 CC1CCCC(=O)O1 InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3 RZTOWFMDBDPERY-UHFFFAOYSA-N belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Organic compounds Organoheterocyclic compounds Lactones Delta valerolactones Delta valerolactones Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Aliphatic heteromonocyclic compounds Solid logp 0.93 ALOGPS logs -0.68 ALOGPS logp 1.01 ChemAxon pka_strongest_basic -7 ChemAxon iupac 6-methyloxan-2-one ChemAxon average_mass 114.1424 ChemAxon mono_mass 114.068079564 ChemAxon smiles CC1CCCC(=O)O1 ChemAxon formula C6H10O2 ChemAxon inchi InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3 ChemAxon inchikey RZTOWFMDBDPERY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 29.33 ChemAxon polarizability 12.12 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1321 Specdb::MsIr 535 Specdb::MsIr 536 Specdb::CMs 24934 Specdb::CMs 29265 Specdb::CMs 99570 Specdb::CMs 174040 Specdb::MsMs 662 Specdb::MsMs 663 Specdb::MsMs 664 Specdb::MsMs 4077 Specdb::MsMs 12896 Specdb::MsMs 12897 Specdb::MsMs 12898 Specdb::MsMs 19568 Specdb::MsMs 19569 Specdb::MsMs 19570 Specdb::MsMs 2766782 Specdb::MsMs 2766783 Specdb::MsMs 2766784 Specdb::MsMs 2911796 Specdb::MsMs 2911797 Specdb::MsMs 2911798 Specdb::NmrOneD 1377 Specdb::NmrOneD 143990 Specdb::NmrOneD 143991 Specdb::NmrOneD 143992 Specdb::NmrOneD 143993 Specdb::NmrOneD 143994 Specdb::NmrOneD 143995 Specdb::NmrOneD 143996 Specdb::NmrOneD 143997 Specdb::NmrOneD 143998 Specdb::NmrOneD 143999 Specdb::NmrOneD 144000 Specdb::NmrOneD 144001 Specdb::NmrOneD 144002 Specdb::NmrOneD 144003 Specdb::NmrOneD 144004 Specdb::NmrOneD 144005 Specdb::NmrOneD 144006 Specdb::NmrOneD 144007 Specdb::NmrOneD 144008 Specdb::NmrOneD 144009 FDB008078 12649 13204 589927 C00054812 5442 Mink, Daniel; Wolberg, Michael; Schuermann, Martin; Hilker, Iris. Chemoenzymic preparation of d-lactones. PCT Int. Appl. (2007), 40pp.