1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one

C190H288Cl3F5N6O3 — CID 157267337

IUPAC1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C/C(=C\C(C)C)c1ccc(Cl)c(Cl)c1.C/C(=C\C(C)C)c1ccc(Cl)cc1.C/C(=C\C(C)C)c1ccc(F)c(F)c1.C/C(=C\C(C)C)c1ccc(F)cc1.C/C(=C\C(C)C)c1cccnc1.C/C(=C\C(C)C)c1ccncc1.C=C1C(C(C)C)CCN1C.CC#CCC(C)C.CC(C)/C=C/c1ccccc1.CC(C)C1CC(=O)N(C)C1.CC(C)CC#Cc1ccc(F)cc1.CC(C)CC#Cc1ccccc1.CC(C)CC#Cc1ccncc1.COc1ccc(/C(C)=C/C(C)C)cc1.COc1ccc(/C(C)=C/C(C)C)cc1F.Cc1ccc(/C=C/C(C)C)cn1
InChIInChI=1S/C13H17FO.C13H18O.C12H14Cl2.C12H15Cl.C12H14F2.C12H15F.C12H13F.C12H14.3C11H15N.C11H13N.C11H14.C9H17N.C8H15NO.C7H12.13CH4/c1-9(2)7-10(3)11-5-6-13(15-4)12(14)8-11;1-10(2)9-11(3)12-5-7-13(14-4)8-6-12;1-8(2)6-9(3)10-4-5-11(13)12(14)7-10;1-9(2)8-10(3)11-4-6-12(13)7-5-11;1-8(2)6-9(3)10-4-5-11(13)12(14)7-10;1-9(2)8-10(3)11-4-6-12(13)7-5-11;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)8-10(3)11-4-6-12-7-5-11;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)7-10(3)11-5-4-6-12-8-11;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-6-10(4)8(9)3;1-6(2)7-4-8(10)9(3)5-7;1-4-5-6-7(2)3;;;;;;;;;;;;;/h5-9H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;6-10H,4H2,1-2H3;3-5,8-9,11H,7H2,1-2H3;3*4-9H,1-3H3;6-10H,4H2,1-2H3;3-10H,1-2H3;7,9H,3,5-6H2,1-2,4H3;6-7H,4-5H2,1-3H3;7H,6H2,1-3H3;13*1H4/b10-7+;11-9+;9-6+;10-8+;9-6+;10-8+;;;10-8+;6-4+;10-7+;;9-8+;;;;;;;;;;;;;;;;
InChIKeyAYDMEHXFUSCHJM-YROWZGOQSA-N
MW2905.78 g/mol
LogP60.05
Rot. Bonds28

About 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one

1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one (PubChem CID 157267337) has the molecular formula C190H288Cl3F5N6O3 and a molecular weight of 2905.78 g/mol. Its IUPAC name is 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one
PubChem CID157267337
Molecular FormulaC190H288Cl3F5N6O3
Molecular Weight2905.78 g/mol
Exact Mass2902.16
IUPAC Name1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C/C(=C\C(C)C)c1ccc(Cl)c(Cl)c1.C/C(=C\C(C)C)c1ccc(Cl)cc1.C/C(=C\C(C)C)c1ccc(F)c(F)c1.C/C(=C\C(C)C)c1ccc(F)cc1.C/C(=C\C(C)C)c1cccnc1.C/C(=C\C(C)C)c1ccncc1.C=C1C(C(C)C)CCN1C.CC#CCC(C)C.CC(C)/C=C/c1ccccc1.CC(C)C1CC(=O)N(C)C1.CC(C)CC#Cc1ccc(F)cc1.CC(C)CC#Cc1ccccc1.CC(C)CC#Cc1ccncc1.COc1ccc(/C(C)=C/C(C)C)cc1.COc1ccc(/C(C)=C/C(C)C)cc1F.Cc1ccc(/C=C/C(C)C)cn1
InChIInChI=1S/C13H17FO.C13H18O.C12H14Cl2.C12H15Cl.C12H14F2.C12H15F.C12H13F.C12H14.3C11H15N.C11H13N.C11H14.C9H17N.C8H15NO.C7H12.13CH4/c1-9(2)7-10(3)11-5-6-13(15-4)12(14)8-11;1-10(2)9-11(3)12-5-7-13(14-4)8-6-12;1-8(2)6-9(3)10-4-5-11(13)12(14)7-10;1-9(2)8-10(3)11-4-6-12(13)7-5-11;1-8(2)6-9(3)10-4-5-11(13)12(14)7-10;1-9(2)8-10(3)11-4-6-12(13)7-5-11;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)8-10(3)11-4-6-12-7-5-11;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)7-10(3)11-5-4-6-12-8-11;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-6-10(4)8(9)3;1-6(2)7-4-8(10)9(3)5-7;1-4-5-6-7(2)3;;;;;;;;;;;;;/h5-9H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;6-10H,4H2,1-2H3;3-5,8-9,11H,7H2,1-2H3;3*4-9H,1-3H3;6-10H,4H2,1-2H3;3-10H,1-2H3;7,9H,3,5-6H2,1-2,4H3;6-7H,4-5H2,1-3H3;7H,6H2,1-3H3;13*1H4/b10-7+;11-9+;9-6+;10-8+;9-6+;10-8+;;;10-8+;6-4+;10-7+;;9-8+;;;;;;;;;;;;;;;;
InChIKeyAYDMEHXFUSCHJM-YROWZGOQSA-N
XLogP60.05
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002905.78
LogP ≤ 560.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one (CID 157267337) is 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one is C.C.C.C.C.C.C.C.C.C.C.C.C.C/C(=C\C(C)C)c1ccc(Cl)c(Cl)c1.C/C(=C\C(C)C)c1ccc(Cl)cc1.C/C(=C\C(C)C)c1ccc(F)c(F)c1.C/C(=C\C(C)C)c1ccc(F)cc1.C/C(=C\C(C)C)c1cccnc1.C/C(=C\C(C)C)c1ccncc1.C=C1C(C(C)C)CCN1C.CC#CCC(C)C.CC(C)/C=C/c1ccccc1.CC(C)C1CC(=O)N(C)C1.CC(C)CC#Cc1ccc(F)cc1.CC(C)CC#Cc1ccccc1.CC(C)CC#Cc1ccncc1.COc1ccc(/C(C)=C/C(C)C)cc1.COc1ccc(/C(C)=C/C(C)C)cc1F.Cc1ccc(/C=C/C(C)C)cn1.
What is the InChIKey of 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is AYDMEHXFUSCHJM-YROWZGOQSA-N. The full InChI is InChI=1S/C13H17FO.C13H18O.C12H14Cl2.C12H15Cl.C12H14F2.C12H15F.C12H13F.C12H14.3C11H15N.C11H13N.C11H14.C9H17N.C8H15NO.C7H12.13CH4/c1-9(2)7-10(3)11-5-6-13(15-4)12(14)8-11;1-10(2)9-11(3)12-5-7-13(14-4)8-6-12;1-8(2)6-9(3)10-4-5-11(13)12(14)7-10;1-9(2)8-10(3)11-4-6-12(13)7-5-11;1-8(2)6-9(3)10-4-5-11(13)12(14)7-10;1-9(2)8-10(3)11-4-6-12(13)7-5-11;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)8-10(3)11-4-6-12-7-5-11;1-9(2)4-6-11-7-5-10(3)12-8-11;1-9(2)7-10(3)11-5-4-6-12-8-11;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-6-10(4)8(9)3;1-6(2)7-4-8(10)9(3)5-7;1-4-5-6-7(2)3;;;;;;;;;;;;;/h5-9H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;6-10H,4H2,1-2H3;3-5,8-9,11H,7H2,1-2H3;3*4-9H,1-3H3;6-10H,4H2,1-2H3;3-10H,1-2H3;7,9H,3,5-6H2,1-2,4H3;6-7H,4-5H2,1-3H3;7H,6H2,1-3H3;13*1H4/b10-7+;11-9+;9-6+;10-8+;9-6+;10-8+;;;10-8+;6-4+;10-7+;;9-8+;;;;;;;;;;;;;;;;.
What are the key properties of 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one?
1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 2905.78 g/mol, XLogP of 60.05, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-dichloro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1,2-difluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;2-fluoro-1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-4-(4-methylpent-1-ynyl)benzene;methane;1-methoxy-4-[(E)-4-methylpent-2-en-2-yl]benzene;[(E)-3-methylbut-1-enyl]benzene;5-methylhex-2-yne;2-methyl-5-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-2-methylidene-3-propan-2-ylpyrrolidine;3-[(E)-4-methylpent-2-en-2-yl]pyridine;4-[(E)-4-methylpent-2-en-2-yl]pyridine;4-methylpent-1-ynylbenzene;4-(4-methylpent-1-ynyl)pyridine;1-methyl-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 157267337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).