1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)

C214H320N12O11 — CID 159637213

IUPAC1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)
SMILESC=C(C)N1CCCC(C(C)C)C1.C=C(C)N1CCCC(C(C)C)C1.CC(=O)Nc1cc(C(C)C)ccc1C.CC(C)C1=CCC(=O)C=C1.COc1cc(C(C)C)cc(OC)c1C.COc1cc(C(C)C)ccc1C.COc1cc(C)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)cc(=O)[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1O.Cc1ccc(CC(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1cnc(C)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C
InChIInChI=1S/C12H17NO.C12H18O2.C12H18.2C11H21N.2C11H16O.C11H16.3C10H15N.2C10H14O.C10H14.3C9H13NO.3C9H13N.C9H12O/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-9(2)7-12-6-5-10(3)11(4)8-12;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-9(3)6-11(7-10)12-4;1-8(2)10-6-5-9(3)11(7-10)12-4;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-5-8(3)6-11-9(10)4;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)8-4-7(3)10-9(11)5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-3-5-9(10)6-4-8/h5-8H,1-4H3,(H,13,14);6-8H,1-5H3;5-6,8-9H,7H2,1-4H3;2*9,11H,3,5-8H2,1-2,4H3;2*5-8H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3*4-7H,1-3H3;3-5,7H,6H2,1-2H3
InChIKeyMPWXYYVMXYUHHL-UHFFFAOYSA-N
MW3236.99 g/mol
LogP58.27
Rot. Bonds32

About 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)

1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine) (PubChem CID 159637213) has the molecular formula C214H320N12O11 and a molecular weight of 3236.99 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine).

Molecular Properties

Compound Name1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)
PubChem CID159637213
Molecular FormulaC214H320N12O11
Molecular Weight3236.99 g/mol
Exact Mass3234.48
IUPAC Name1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)
SMILESC=C(C)N1CCCC(C(C)C)C1.C=C(C)N1CCCC(C(C)C)C1.CC(=O)Nc1cc(C(C)C)ccc1C.CC(C)C1=CCC(=O)C=C1.COc1cc(C(C)C)cc(OC)c1C.COc1cc(C(C)C)ccc1C.COc1cc(C)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)cc(=O)[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1O.Cc1ccc(CC(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1cnc(C)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C
InChIInChI=1S/C12H17NO.C12H18O2.C12H18.2C11H21N.2C11H16O.C11H16.3C10H15N.2C10H14O.C10H14.3C9H13NO.3C9H13N.C9H12O/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-9(2)7-12-6-5-10(3)11(4)8-12;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-9(3)6-11(7-10)12-4;1-8(2)10-6-5-9(3)11(7-10)12-4;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-5-8(3)6-11-9(10)4;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)8-4-7(3)10-9(11)5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-3-5-9(10)6-4-8/h5-8H,1-4H3,(H,13,14);6-8H,1-5H3;5-6,8-9H,7H2,1-4H3;2*9,11H,3,5-8H2,1-2,4H3;2*5-8H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3*4-7H,1-3H3;3-5,7H,6H2,1-2H3
InChIKeyMPWXYYVMXYUHHL-UHFFFAOYSA-N
XLogP58.27
TPSA273.47 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003236.99
LogP ≤ 558.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine) with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
CID 158600591
1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole
CID 167571759
N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550202
2-(azetidin-1-yl)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-3-pyridinyl)morpholine;3-[(3-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(5-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158627685
2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 138015038
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768673
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-5-propan-2-ylpyridine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine
CID 158588818
N-[5-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 146088376

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)?
The IUPAC name of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine) (CID 159637213) is 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine).
What is the SMILES notation for 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)?
The canonical SMILES for 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine) is C=C(C)N1CCCC(C(C)C)C1.C=C(C)N1CCCC(C(C)C)C1.CC(=O)Nc1cc(C(C)C)ccc1C.CC(C)C1=CCC(=O)C=C1.COc1cc(C(C)C)cc(OC)c1C.COc1cc(C(C)C)ccc1C.COc1cc(C)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)cc(=O)[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1O.Cc1ccc(CC(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1cnc(C)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.
What is the InChIKey of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)?
The InChIKey is MPWXYYVMXYUHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H18O2.C12H18.2C11H21N.2C11H16O.C11H16.3C10H15N.2C10H14O.C10H14.3C9H13NO.3C9H13N.C9H12O/c1-8(2)11-6-5-9(3)12(7-11)13-10(4)14;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-9(2)7-12-6-5-10(3)11(4)8-12;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-9(3)6-11(7-10)12-4;1-8(2)10-6-5-9(3)11(7-10)12-4;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-5-8(3)6-11-9(10)4;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-9(11-3)6-10-5-8;1-6(2)8-4-7(3)10-9(11)5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)8-3-5-9(10)6-4-8/h5-8H,1-4H3,(H,13,14);6-8H,1-5H3;5-6,8-9H,7H2,1-4H3;2*9,11H,3,5-8H2,1-2,4H3;2*5-8H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3*4-7H,1-3H3;3-5,7H,6H2,1-2H3.
What are the key properties of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine)?
1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine) has a molecular weight of 3236.99 g/mol, XLogP of 58.27, 32 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;bis(3-propan-2-yl-1-prop-1-en-2-ylpiperidine) is sourced from PubChem (CID 159637213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).