(E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal

C255H480N10O38S2 — CID 158115608

IUPAC(E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal
SMILESC/C(=C\C=O)C(C)C.C/C(C=O)=C(/C)C(C)C.C/C(C=O)=C\C(C)C.C/C=C/C(C)C.C=CC(C)C.C=CCOC(C)C.CC(=O)/C(C)=C/C(C)C.CC(=O)/C=C/C(C)C.CC(=O)C(C)C(C)C(C)C.CC(=O)CCC(C)C.CC(C)/C=C/C(=O)O.CC(C)/C=C/CN.CC(C)/C=C/CO.CC(C)/C=C/CS.CC(C)/C=C/c1ccco1.CC(C)/C=N/C=O.CC(C)/N=C/C=O.CC(C)C1=CC=CC1.CC(C)CCC(=O)N(C)C.CC(C)CCC=O.CC(C)CCC=O.CC(C)CN(C)C=O.CC(C)COC(C)C.CC(C)COC=O.CC(C)N(C)CC=O.CC(C)NCC=O.CC(C)NCCO.CC(C)OCC1CCCO1.CC(C)OCC=O.CC(C)OCc1ccco1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CCC(=O)/C=C/C(C)C.CCC(=O)C(C)C.CCOC(=O)/C=C/C(C)C.CNC(C)C.COC(=O)/C=C/C(C)C.COCC(C)C
InChIInChI=1S/C9H12O.C9H18O.C8H17NO.C8H16O2.C8H12O2.C8H14O2.3C8H14O.C8H12.C7H11N.C7H12O2.C7H10O.C7H16O.2C7H12O.C7H14O.C7H12O.C7H10S.2C6H13NO.C6H13N.C6H10O2.5C6H12O.C6H12S.C6H12.C5H9NO.C5H13NO.C5H11NO.C5H9NO.2C5H10O2.C5H12O.C5H10.C4H11N/c1-8(2)5-6-9-4-3-7-10-9;1-6(2)7(3)8(4)9(5)10;1-7(2)5-6-8(10)9(3)4;2*1-7(2)10-6-8-4-3-5-9-8;1-4-10-8(9)6-5-7(2)3;1-6(2)8(4)7(3)5-9;1-6(2)5-7(3)8(4)9;1-4-8(9)6-5-7(2)3;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)4-5-7(8)9-3;1-6(2)7-4-3-5-8-7;1-6(2)5-8-7(3)4;1-6(2)4-7(3)5-8;1-6(2)7(3)4-5-8;2*1-6(2)4-5-7(3)8;1-6(2)7-4-3-5-8-7;1-6(2)4-7(3)5-8;1-6(2)7(3)4-5-8;1-6(2)4-3-5-7;1-5(2)3-4-6(7)8;3*1-6(2)4-3-5-7;1-4-5-7-6(2)3;1-4-6(7)5(2)3;1-6(2)4-3-5-7;1-4-5-6(2)3;1-5(2)3-6-4-7;3*1-5(2)6-3-4-7;1-5(2)3-7-4-6;1-5(2)7-4-3-6;1-5(2)4-6-3;1-4-5(2)3;1-4(2)5-3/h3-8H,1-2H3;6-8H,1-5H3;7H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-7H,4H2,1-3H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;3-5,7H,6H2,1-2H3;3-6,8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,5H2,1-4H3;2*4-6H,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;2*5-6H,4H2,1-3H3;3-4,6H,5,7H2,1-2H3;3-5H,1-2H3,(H,7,8);2*5-6H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;4,6H,1,5H2,2-3H3;5H,4H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6H,1-3H3;3-5H,1-2H3;5-7H,3-4H2,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3;4-5H,3H2,1-2H3;3,5H,4H2,1-2H3;5H,4H2,1-3H3;4-5H,1H2,2-3H3;4-5H,1-3H3/b6-5+;;;;;6-5+;8-7+;7-5+;6-5+;;;5-4+;;;2*7-4+;;5-4+;;;;2*4-3+;;;4-3+;;;4-3+;5-4+;6-3+;;;6-3+;;;;;
InChIKeyFQYSSRUEEMZLHE-WIUPEFSESA-N
MW4358.81 g/mol
LogP62.36
Rot. Bonds88

About (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal

(E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal (PubChem CID 158115608) has the molecular formula C255H480N10O38S2 and a molecular weight of 4358.81 g/mol. Its IUPAC name is (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal.

Molecular Properties

Compound Name(E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal
PubChem CID158115608
Molecular FormulaC255H480N10O38S2
Molecular Weight4358.81 g/mol
Exact Mass4355.54
IUPAC Name(E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal
SMILESC/C(=C\C=O)C(C)C.C/C(C=O)=C(/C)C(C)C.C/C(C=O)=C\C(C)C.C/C=C/C(C)C.C=CC(C)C.C=CCOC(C)C.CC(=O)/C(C)=C/C(C)C.CC(=O)/C=C/C(C)C.CC(=O)C(C)C(C)C(C)C.CC(=O)CCC(C)C.CC(C)/C=C/C(=O)O.CC(C)/C=C/CN.CC(C)/C=C/CO.CC(C)/C=C/CS.CC(C)/C=C/c1ccco1.CC(C)/C=N/C=O.CC(C)/N=C/C=O.CC(C)C1=CC=CC1.CC(C)CCC(=O)N(C)C.CC(C)CCC=O.CC(C)CCC=O.CC(C)CN(C)C=O.CC(C)COC(C)C.CC(C)COC=O.CC(C)N(C)CC=O.CC(C)NCC=O.CC(C)NCCO.CC(C)OCC1CCCO1.CC(C)OCC=O.CC(C)OCc1ccco1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CCC(=O)/C=C/C(C)C.CCC(=O)C(C)C.CCOC(=O)/C=C/C(C)C.CNC(C)C.COC(=O)/C=C/C(C)C.COCC(C)C
InChIInChI=1S/C9H12O.C9H18O.C8H17NO.C8H16O2.C8H12O2.C8H14O2.3C8H14O.C8H12.C7H11N.C7H12O2.C7H10O.C7H16O.2C7H12O.C7H14O.C7H12O.C7H10S.2C6H13NO.C6H13N.C6H10O2.5C6H12O.C6H12S.C6H12.C5H9NO.C5H13NO.C5H11NO.C5H9NO.2C5H10O2.C5H12O.C5H10.C4H11N/c1-8(2)5-6-9-4-3-7-10-9;1-6(2)7(3)8(4)9(5)10;1-7(2)5-6-8(10)9(3)4;2*1-7(2)10-6-8-4-3-5-9-8;1-4-10-8(9)6-5-7(2)3;1-6(2)8(4)7(3)5-9;1-6(2)5-7(3)8(4)9;1-4-8(9)6-5-7(2)3;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)4-5-7(8)9-3;1-6(2)7-4-3-5-8-7;1-6(2)5-8-7(3)4;1-6(2)4-7(3)5-8;1-6(2)7(3)4-5-8;2*1-6(2)4-5-7(3)8;1-6(2)7-4-3-5-8-7;1-6(2)4-7(3)5-8;1-6(2)7(3)4-5-8;1-6(2)4-3-5-7;1-5(2)3-4-6(7)8;3*1-6(2)4-3-5-7;1-4-5-7-6(2)3;1-4-6(7)5(2)3;1-6(2)4-3-5-7;1-4-5-6(2)3;1-5(2)3-6-4-7;3*1-5(2)6-3-4-7;1-5(2)3-7-4-6;1-5(2)7-4-3-6;1-5(2)4-6-3;1-4-5(2)3;1-4(2)5-3/h3-8H,1-2H3;6-8H,1-5H3;7H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-7H,4H2,1-3H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;3-5,7H,6H2,1-2H3;3-6,8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,5H2,1-4H3;2*4-6H,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;2*5-6H,4H2,1-3H3;3-4,6H,5,7H2,1-2H3;3-5H,1-2H3,(H,7,8);2*5-6H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;4,6H,1,5H2,2-3H3;5H,4H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6H,1-3H3;3-5H,1-2H3;5-7H,3-4H2,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3;4-5H,3H2,1-2H3;3,5H,4H2,1-2H3;5H,4H2,1-3H3;4-5H,1H2,2-3H3;4-5H,1-3H3/b6-5+;;;;;6-5+;8-7+;7-5+;6-5+;;;5-4+;;;2*7-4+;;5-4+;;;;2*4-3+;;;4-3+;;;4-3+;5-4+;6-3+;;;6-3+;;;;;
InChIKeyFQYSSRUEEMZLHE-WIUPEFSESA-N
XLogP62.36
TPSA680.29 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds88
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004358.81
LogP ≤ 562.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Analyze (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal with MolForge

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What is the IUPAC name of (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal?
The IUPAC name of (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal (CID 158115608) is (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal.
What is the SMILES notation for (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal?
The canonical SMILES for (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal is C/C(=C\C=O)C(C)C.C/C(C=O)=C(/C)C(C)C.C/C(C=O)=C\C(C)C.C/C=C/C(C)C.C=CC(C)C.C=CCOC(C)C.CC(=O)/C(C)=C/C(C)C.CC(=O)/C=C/C(C)C.CC(=O)C(C)C(C)C(C)C.CC(=O)CCC(C)C.CC(C)/C=C/C(=O)O.CC(C)/C=C/CN.CC(C)/C=C/CO.CC(C)/C=C/CS.CC(C)/C=C/c1ccco1.CC(C)/C=N/C=O.CC(C)/N=C/C=O.CC(C)C1=CC=CC1.CC(C)CCC(=O)N(C)C.CC(C)CCC=O.CC(C)CCC=O.CC(C)CN(C)C=O.CC(C)COC(C)C.CC(C)COC=O.CC(C)N(C)CC=O.CC(C)NCC=O.CC(C)NCCO.CC(C)OCC1CCCO1.CC(C)OCC=O.CC(C)OCc1ccco1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CCC(=O)/C=C/C(C)C.CCC(=O)C(C)C.CCOC(=O)/C=C/C(C)C.CNC(C)C.COC(=O)/C=C/C(C)C.COCC(C)C.
What is the InChIKey of (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal?
The InChIKey is FQYSSRUEEMZLHE-WIUPEFSESA-N. The full InChI is InChI=1S/C9H12O.C9H18O.C8H17NO.C8H16O2.C8H12O2.C8H14O2.3C8H14O.C8H12.C7H11N.C7H12O2.C7H10O.C7H16O.2C7H12O.C7H14O.C7H12O.C7H10S.2C6H13NO.C6H13N.C6H10O2.5C6H12O.C6H12S.C6H12.C5H9NO.C5H13NO.C5H11NO.C5H9NO.2C5H10O2.C5H12O.C5H10.C4H11N/c1-8(2)5-6-9-4-3-7-10-9;1-6(2)7(3)8(4)9(5)10;1-7(2)5-6-8(10)9(3)4;2*1-7(2)10-6-8-4-3-5-9-8;1-4-10-8(9)6-5-7(2)3;1-6(2)8(4)7(3)5-9;1-6(2)5-7(3)8(4)9;1-4-8(9)6-5-7(2)3;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)4-5-7(8)9-3;1-6(2)7-4-3-5-8-7;1-6(2)5-8-7(3)4;1-6(2)4-7(3)5-8;1-6(2)7(3)4-5-8;2*1-6(2)4-5-7(3)8;1-6(2)7-4-3-5-8-7;1-6(2)4-7(3)5-8;1-6(2)7(3)4-5-8;1-6(2)4-3-5-7;1-5(2)3-4-6(7)8;3*1-6(2)4-3-5-7;1-4-5-7-6(2)3;1-4-6(7)5(2)3;1-6(2)4-3-5-7;1-4-5-6(2)3;1-5(2)3-6-4-7;3*1-5(2)6-3-4-7;1-5(2)3-7-4-6;1-5(2)7-4-3-6;1-5(2)4-6-3;1-4-5(2)3;1-4(2)5-3/h3-8H,1-2H3;6-8H,1-5H3;7H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-7H,4H2,1-3H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;3-5,7H,6H2,1-2H3;3-6,8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,5H2,1-4H3;2*4-6H,1-3H3;6H,4-5H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;2*5-6H,4H2,1-3H3;3-4,6H,5,7H2,1-2H3;3-5H,1-2H3,(H,7,8);2*5-6H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;4,6H,1,5H2,2-3H3;5H,4H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6H,1-3H3;3-5H,1-2H3;5-7H,3-4H2,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3;4-5H,3H2,1-2H3;3,5H,4H2,1-2H3;5H,4H2,1-3H3;4-5H,1H2,2-3H3;4-5H,1-3H3/b6-5+;;;;;6-5+;8-7+;7-5+;6-5+;;;5-4+;;;2*7-4+;;5-4+;;;;2*4-3+;;;4-3+;;;4-3+;5-4+;6-3+;;;6-3+;;;;;.
What are the key properties of (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal?
(E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal has a molecular weight of 4358.81 g/mol, XLogP of 62.36, 88 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethylhex-3-en-2-one;(E)-2,4-dimethylpent-2-enal;(E)-3,4-dimethylpent-2-enal;ethyl (E)-4-methylpent-2-enoate;1-methoxy-2-methylpropane;3-methylbut-1-ene;2-[(E)-3-methylbut-1-enyl]furan;(E)-6-methylhept-4-en-3-one;5-methylhexan-2-one;(E)-5-methylhex-3-en-2-one;methyl (E)-4-methylpent-2-enoate;N-methyl-N-(2-methylpropyl)formamide;bis(4-methylpentanal);2-methylpentan-3-one;(E)-4-methylpent-2-en-1-amine;(E)-4-methylpent-2-ene;(E)-4-methylpent-2-ene-1-thiol;(E)-4-methylpent-2-enoic acid;(E)-4-methylpent-2-en-1-ol;N-methylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetaldehyde;2-methyl-1-propan-2-yloxypropane;2-methylpropyl formate;N-(2-methylpropylidene)formamide;2-(propan-2-ylamino)acetaldehyde;2-(propan-2-ylamino)ethanol;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yliminoacetaldehyde;2-propan-2-yloxyacetaldehyde;2-(propan-2-yloxymethyl)furan;2-(propan-2-yloxymethyl)oxolane;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;2-prop-2-enoxypropane;3,4,5-trimethylhexan-2-one;N,N,4-trimethylpentanamide;(E)-2,3,4-trimethylpent-2-enal is sourced from PubChem (CID 158115608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).