1.0 2011-09-26 22:55:30 UTC 2025-11-19 02:58:47 UTC FDB029736 R-delta-decalactone Flavouring compound [Flavornet] C10H18O2 170.2487 170.13067982 6-pentyloxan-2-one delta-decalactone 2825-91-4 CCCCCC1CCCC(=O)O1 InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3 GHBSPIPJMLAMEP-UHFFFAOYSA-N belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Delta valerolactones Organic compounds Organoheterocyclic compounds Lactones Delta valerolactones Aliphatic heteromonocyclic compounds 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 Lactones delta-lactone logp 3.07 ALOGPS logs -2.92 ALOGPS solubility 2.03e-01 g/l ALOGPS logp 2.87 ChemAxon pka_strongest_basic -7 ChemAxon iupac 6-pentyloxan-2-one ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CCCCCC1CCCC(=O)O1 ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3 ChemAxon inchikey GHBSPIPJMLAMEP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 47.65 ChemAxon polarizability 20.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48786 Specdb::MsMs 48787 Specdb::MsMs 48788 Specdb::MsMs 142821 Specdb::MsMs 142822 Specdb::MsMs 142823 Specdb::MsMs 444910 Specdb::MsMs 444911 Specdb::MsMs 2226301 Specdb::MsMs 2228621 Specdb::MsMs 2230801 Specdb::MsMs 3048269 Specdb::MsMs 3048270 Specdb::MsMs 3048271 Specdb::MsMs 3096067 Specdb::MsMs 3096068 Specdb::MsMs 3096069 Specdb::CMs 3372 Specdb::CMs 29268 Specdb::CMs 101856 Specdb::CMs 171743 Specdb::MsIr 7389 Specdb::MsIr 7390 Specdb::NmrOneD 4524 Specdb::NmrOneD 4652 Specdb::NmrOneD 299505 Specdb::NmrOneD 299506 Specdb::NmrOneD 299507 Specdb::NmrOneD 299508 Specdb::NmrOneD 299509 Specdb::NmrOneD 299510 Specdb::NmrOneD 299511 Specdb::NmrOneD 299512 Specdb::NmrOneD 299513 Specdb::NmrOneD 299514 Specdb::NmrOneD 299515 Specdb::NmrOneD 299516 Specdb::NmrOneD 299517 Specdb::NmrOneD 299518 Specdb::NmrOneD 299519 Specdb::NmrOneD 299520 Specdb::NmrOneD 299521 Specdb::NmrOneD 299522 Specdb::NmrOneD 299523 Specdb::NmrOneD 299524 HMDB0037116 fruity milk peach sweet