1.0 2026-09-22 03:53:44 UTC 2026-09-22 03:53:44 UTC FDB117654 4-METHYL-1-PENTANOL 4-methylpentan-1-ol C6H14O 102.1748 102.10446507 4-methylpentan-1-ol 4-methyl-1-pentanol CC(C)CCCO InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 PCWGTDULNUVNBN-UHFFFAOYSA-N belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Primary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Fatty alcohols alkyl alcohol primary alcohol logp 1.84 ALOGPS logs -0.98 ALOGPS solubility 1.07e+01 g/l ALOGPS logp 1.54 ChemAxon pka_strongest_acidic 16.79 ChemAxon pka_strongest_basic -2 ChemAxon iupac 4-methylpentan-1-ol ChemAxon average_mass 102.1748 ChemAxon mono_mass 102.10446507 ChemAxon smiles CC(C)CCCO ChemAxon formula C6H14O ChemAxon inchi InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 ChemAxon inchikey PCWGTDULNUVNBN-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 31.28 ChemAxon polarizability 13.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9766 Specdb::MsIr 9767 Specdb::MsIr 9768 Specdb::CMs 2578 Specdb::CMs 28400 Specdb::CMs 47937 Specdb::CMs 102398 Specdb::CMs 137915 Specdb::CMs 145649 Specdb::NmrOneD 4512 Specdb::NmrOneD 4638 Specdb::NmrOneD 53422 Specdb::NmrOneD 53423 Specdb::NmrOneD 53424 Specdb::NmrOneD 53425 Specdb::NmrOneD 53426 Specdb::NmrOneD 53427 Specdb::NmrOneD 53428 Specdb::NmrOneD 53429 Specdb::NmrOneD 53430 Specdb::NmrOneD 53431 Specdb::NmrOneD 53432 Specdb::NmrOneD 53433 Specdb::NmrOneD 53434 Specdb::NmrOneD 53435 Specdb::NmrOneD 53436 Specdb::NmrOneD 53437 Specdb::NmrOneD 53438 Specdb::NmrOneD 53439 Specdb::NmrOneD 53440 Specdb::NmrOneD 53441 Specdb::MsMs 42921 Specdb::MsMs 42922 Specdb::MsMs 42923 Specdb::MsMs 176280 Specdb::MsMs 176281 Specdb::MsMs 176282 Specdb::MsMs 3223801 Specdb::MsMs 3223802 Specdb::MsMs 3223803 Specdb::MsMs 3238189 Specdb::MsMs 3238190 Specdb::MsMs 3238191