1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one

C241H460N2O47 — CID 160580094

IUPAC1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one
SMILESCC(C)C(=O)COCCCCCN(C)C(C)C.CC(C)C(=O)COCCOCCN(C)C(C)C.CC(C)CC#CC#CCOCC(=O)C(C)C.CC(C)CC#CC#CCOCCC(=O)C(C)C.CC(C)CC#CC#CCOCCCC(=O)C(C)C.CC(C)CCC(C)(C)CCOCCCOCC(=O)C(C)C.CC(C)CCC(O)CCOCCCOCC(=O)C(C)C.CC(C)CCCCCCOCC(=O)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCCCOCCCCOCC(=O)C(C)C.CC(C)CCCCOCCCOCC(=O)C(C)C.CC(C)CCCOCCCCOCC(=O)C(C)C.CC(C)CCCOCCOCC(=O)C(C)C.CC(C)CCOCCOCCOCC(=O)C(C)C.CC(C)CCO[C@@H](C)[C@H](C)OCCOCC(=O)C(C)C.CC(C)CCO[C@H](C)[C@@H](C)OCCOCC(=O)C(C)C
InChIInChI=1S/C18H36O3.3C16H32O4.2C16H32O3.C16H24O2.2C15H30O3.C15H22O2.C14H29NO2.C14H28O4.C14H28O2.C14H20O2.C13H27NO3.C13H26O3/c1-15(2)8-9-18(5,6)10-13-20-11-7-12-21-14-17(19)16(3)4;2*1-12(2)7-8-19-14(5)15(6)20-10-9-18-11-16(17)13(3)4;1-13(2)6-7-15(17)8-11-19-9-5-10-20-12-16(18)14(3)4;1-14(2)9-5-6-10-18-11-7-8-12-19-13-16(17)15(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;1-14(2)10-7-5-6-8-12-18-13-9-11-16(17)15(3)4;1-13(2)8-7-11-17-9-5-6-10-18-12-15(16)14(3)4;1-13(2)8-5-6-9-17-10-7-11-18-12-15(16)14(3)4;1-13(2)9-7-5-6-8-11-17-12-10-15(16)14(3)4;1-12(2)14(16)11-17-10-8-6-7-9-15(5)13(3)4;1-12(2)5-6-16-7-8-17-9-10-18-11-14(15)13(3)4;2*1-12(2)9-7-5-6-8-10-16-11-14(15)13(3)4;1-11(2)13(15)10-17-9-8-16-7-6-14(5)12(3)4;1-11(2)6-5-7-15-8-9-16-10-13(14)12(3)4/h15-16H,7-14H2,1-6H3;2*12-15H,7-11H2,1-6H3;13-15,17H,5-12H2,1-4H3;2*14-15H,5-13H2,1-4H3;14-15H,9-13H2,1-4H3;2*13-14H,5-12H2,1-4H3;13-14H,9-12H2,1-4H3;12-13H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,9-11H2,1-4H3;11-12H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3/t;2*14-,15-;;;;;;;;;;;;;/m.10............./s1
InChIKeyRBQZYPHZLFUWDP-LQNUOXSTSA-N
MW4138.30 g/mol
LogP49.26
Rot. Bonds170

About 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one

1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one (PubChem CID 160580094) has the molecular formula C241H460N2O47 and a molecular weight of 4138.30 g/mol. Its IUPAC name is 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one.

Molecular Properties

Compound Name1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one
PubChem CID160580094
Molecular FormulaC241H460N2O47
Molecular Weight4138.30 g/mol
Exact Mass4135.37
IUPAC Name1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one
SMILESCC(C)C(=O)COCCCCCN(C)C(C)C.CC(C)C(=O)COCCOCCN(C)C(C)C.CC(C)CC#CC#CCOCC(=O)C(C)C.CC(C)CC#CC#CCOCCC(=O)C(C)C.CC(C)CC#CC#CCOCCCC(=O)C(C)C.CC(C)CCC(C)(C)CCOCCCOCC(=O)C(C)C.CC(C)CCC(O)CCOCCCOCC(=O)C(C)C.CC(C)CCCCCCOCC(=O)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCCCOCCCCOCC(=O)C(C)C.CC(C)CCCCOCCCOCC(=O)C(C)C.CC(C)CCCOCCCCOCC(=O)C(C)C.CC(C)CCCOCCOCC(=O)C(C)C.CC(C)CCOCCOCCOCC(=O)C(C)C.CC(C)CCO[C@@H](C)[C@H](C)OCCOCC(=O)C(C)C.CC(C)CCO[C@H](C)[C@@H](C)OCCOCC(=O)C(C)C
InChIInChI=1S/C18H36O3.3C16H32O4.2C16H32O3.C16H24O2.2C15H30O3.C15H22O2.C14H29NO2.C14H28O4.C14H28O2.C14H20O2.C13H27NO3.C13H26O3/c1-15(2)8-9-18(5,6)10-13-20-11-7-12-21-14-17(19)16(3)4;2*1-12(2)7-8-19-14(5)15(6)20-10-9-18-11-16(17)13(3)4;1-13(2)6-7-15(17)8-11-19-9-5-10-20-12-16(18)14(3)4;1-14(2)9-5-6-10-18-11-7-8-12-19-13-16(17)15(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;1-14(2)10-7-5-6-8-12-18-13-9-11-16(17)15(3)4;1-13(2)8-7-11-17-9-5-6-10-18-12-15(16)14(3)4;1-13(2)8-5-6-9-17-10-7-11-18-12-15(16)14(3)4;1-13(2)9-7-5-6-8-11-17-12-10-15(16)14(3)4;1-12(2)14(16)11-17-10-8-6-7-9-15(5)13(3)4;1-12(2)5-6-16-7-8-17-9-10-18-11-14(15)13(3)4;2*1-12(2)9-7-5-6-8-10-16-11-14(15)13(3)4;1-11(2)13(15)10-17-9-8-16-7-6-14(5)12(3)4;1-11(2)6-5-7-15-8-9-16-10-13(14)12(3)4/h15-16H,7-14H2,1-6H3;2*12-15H,7-11H2,1-6H3;13-15,17H,5-12H2,1-4H3;2*14-15H,5-13H2,1-4H3;14-15H,9-13H2,1-4H3;2*13-14H,5-12H2,1-4H3;13-14H,9-12H2,1-4H3;12-13H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,9-11H2,1-4H3;11-12H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3/t;2*14-,15-;;;;;;;;;;;;;/m.10............./s1
InChIKeyRBQZYPHZLFUWDP-LQNUOXSTSA-N
XLogP49.26
TPSA576.73 Ų
H-Bond Donors1
H-Bond Acceptors49
Rotatable Bonds170
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004138.30
LogP ≤ 549.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[2-[tert-butyl(methyl)amino]ethoxy]ethoxy]-3-methylbutan-2-one;1-[5-[tert-butyl(methyl)amino]pentoxy]-3-methylbutan-2-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-4,4-dimethylpent-2-yne;N-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;1-(7,7-dimethyloctoxy)-3-methylbutan-2-one;1-[2-(4,4-dimethylpentoxy)ethoxy]-3-methylbutan-2-one;1-[2-[2-(4,4-dimethylpent-2-ynoxy)ethoxy]ethoxy]-4,4-dimethylpentane;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one
CID 159405706
2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one
CID 161319939
6-methylheptyl 2-methylpropanoate;3-methyl-1-(3-methylbutoxy)butan-2-one;3-methyl-1-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxybutane;3-methyl-1-[4-(3-methylbutoxy)butoxy]butan-2-one;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butane;3-methyl-1-[3-(3-methylbutoxy)propoxy]butan-2-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;3-methyl-1-(5-methylhexoxy)butan-2-one
CID 157257614
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854
4-methyl-1-(6-methylheptoxy)pentan-3-one
CID 118441422
2-methyl-8-[2-[2-(7-methyloctoxy)ethoxy]ethoxy]octan-3-one
CID 170679761
5-methyl-1-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-one
CID 157179332
N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 167615688
2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
CID 165106432
1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
CID 152997750
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
2,5-dimethylhexane;2,8-dimethylnonan-3-one;1-[2-(3-methylbutoxy)ethyl]-4-(4-methylpentyl)triazole;3-methyl-1-(3-methylbutoxy)butane;2-methyl-7-(3-methylbutoxy)heptan-3-one;3-methyl-1-(4-methylpentoxy)butan-2-one;3-methyl-1-[2-[4-(4-methylpentyl)triazol-1-yl]ethoxy]butan-2-one
CID 165086970

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?
The IUPAC name of 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one (CID 160580094) is 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one.
What is the SMILES notation for 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?
The canonical SMILES for 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one is CC(C)C(=O)COCCCCCN(C)C(C)C.CC(C)C(=O)COCCOCCN(C)C(C)C.CC(C)CC#CC#CCOCC(=O)C(C)C.CC(C)CC#CC#CCOCCC(=O)C(C)C.CC(C)CC#CC#CCOCCCC(=O)C(C)C.CC(C)CCC(C)(C)CCOCCCOCC(=O)C(C)C.CC(C)CCC(O)CCOCCCOCC(=O)C(C)C.CC(C)CCCCCCOCC(=O)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCCCOCCCCOCC(=O)C(C)C.CC(C)CCCCOCCCOCC(=O)C(C)C.CC(C)CCCOCCCCOCC(=O)C(C)C.CC(C)CCCOCCOCC(=O)C(C)C.CC(C)CCOCCOCCOCC(=O)C(C)C.CC(C)CCO[C@@H](C)[C@H](C)OCCOCC(=O)C(C)C.CC(C)CCO[C@H](C)[C@@H](C)OCCOCC(=O)C(C)C.
What is the InChIKey of 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?
The InChIKey is RBQZYPHZLFUWDP-LQNUOXSTSA-N. The full InChI is InChI=1S/C18H36O3.3C16H32O4.2C16H32O3.C16H24O2.2C15H30O3.C15H22O2.C14H29NO2.C14H28O4.C14H28O2.C14H20O2.C13H27NO3.C13H26O3/c1-15(2)8-9-18(5,6)10-13-20-11-7-12-21-14-17(19)16(3)4;2*1-12(2)7-8-19-14(5)15(6)20-10-9-18-11-16(17)13(3)4;1-13(2)6-7-15(17)8-11-19-9-5-10-20-12-16(18)14(3)4;1-14(2)9-5-6-10-18-11-7-8-12-19-13-16(17)15(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;1-14(2)10-7-5-6-8-12-18-13-9-11-16(17)15(3)4;1-13(2)8-7-11-17-9-5-6-10-18-12-15(16)14(3)4;1-13(2)8-5-6-9-17-10-7-11-18-12-15(16)14(3)4;1-13(2)9-7-5-6-8-11-17-12-10-15(16)14(3)4;1-12(2)14(16)11-17-10-8-6-7-9-15(5)13(3)4;1-12(2)5-6-16-7-8-17-9-10-18-11-14(15)13(3)4;2*1-12(2)9-7-5-6-8-10-16-11-14(15)13(3)4;1-11(2)13(15)10-17-9-8-16-7-6-14(5)12(3)4;1-11(2)6-5-7-15-8-9-16-10-13(14)12(3)4/h15-16H,7-14H2,1-6H3;2*12-15H,7-11H2,1-6H3;13-15,17H,5-12H2,1-4H3;2*14-15H,5-13H2,1-4H3;14-15H,9-13H2,1-4H3;2*13-14H,5-12H2,1-4H3;13-14H,9-12H2,1-4H3;12-13H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,9-11H2,1-4H3;11-12H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3/t;2*14-,15-;;;;;;;;;;;;;/m.10............./s1.
What are the key properties of 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?
1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one has a molecular weight of 4138.30 g/mol, XLogP of 49.26, 170 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(2R,3R)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[(2S,3S)-3-(3-methylbutoxy)butan-2-yl]oxyethoxy]butan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[4-(5-methylhexoxy)butoxy]butan-2-one;3-methyl-1-[3-(5-methylhexoxy)propoxy]butan-2-one;3-methyl-1-(7-methylocta-2,4-diynoxy)butan-2-one;2-methyl-6-(7-methylocta-2,4-diynoxy)hexan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[4-(4-methylpentoxy)butoxy]butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one is sourced from PubChem (CID 160580094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).