1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan

C196H254N4OS — CID 157152352

IUPAC1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan
SMILESCC(C)/C=C/c1ccc(C(C)C)cc1.CC(C)C#Cc1ccc(C(C)C)cc1.CC(C)c1ccc(-c2cc3oc(C(C)C)cc3s2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cn2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)nc2)cc1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3n2)cc1.CC(C)c1ccc(C23CCC(C(C)C)(CC2)CC3)cc1.CC(C)c1ccc(C2CCC(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C22H24.C21H23N.C20H30.C18H20OS.C18H28.C18H22.C17H27N.2C17H21N.C14H20.C14H18/c1-15(2)17-5-7-18(8-6-17)20-11-12-21-13-19(16(3)4)9-10-22(21)14-20;1-14(2)16-5-7-17(8-6-16)20-12-10-19-13-18(15(3)4)9-11-21(19)22-20;1-15(2)17-5-7-18(8-6-17)20-12-9-19(10-13-20,11-14-20)16(3)4;1-11(2)13-5-7-14(8-6-13)17-10-16-18(20-17)9-15(19-16)12(3)4;2*1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4;1-13(2)15-5-7-17(8-6-15)18-11-9-16(10-12-18)14(3)4;1-12(2)14-5-7-15(8-6-14)16-9-10-17(13(3)4)18-11-16;1-12(2)14-5-7-15(8-6-14)17-10-9-16(11-18-17)13(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4/h5-16H,1-4H3;5-15H,1-4H3;5-8,15-16H,9-14H2,1-4H3;5-12H,1-4H3;5-6,9-10,13-14,16,18H,7-8,11-12H2,1-4H3;5-14H,1-4H3;5-8,13-14,16H,9-12H2,1-4H3;2*5-13H,1-4H3;5-12H,1-4H3;7-12H,1-4H3/b;;;;;;;;;6-5+;
InChIKeyALKDFUUUTNWYGS-NKBDWLQGSA-N
MW2714.28 g/mol
LogP59.68
Rot. Bonds31

About 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan

1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan (PubChem CID 157152352) has the molecular formula C196H254N4OS and a molecular weight of 2714.28 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan
PubChem CID157152352
Molecular FormulaC196H254N4OS
Molecular Weight2714.28 g/mol
Exact Mass2711.97
IUPAC Name1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan
SMILESCC(C)/C=C/c1ccc(C(C)C)cc1.CC(C)C#Cc1ccc(C(C)C)cc1.CC(C)c1ccc(-c2cc3oc(C(C)C)cc3s2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cn2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)nc2)cc1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3n2)cc1.CC(C)c1ccc(C23CCC(C(C)C)(CC2)CC3)cc1.CC(C)c1ccc(C2CCC(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C22H24.C21H23N.C20H30.C18H20OS.C18H28.C18H22.C17H27N.2C17H21N.C14H20.C14H18/c1-15(2)17-5-7-18(8-6-17)20-11-12-21-13-19(16(3)4)9-10-22(21)14-20;1-14(2)16-5-7-17(8-6-16)20-12-10-19-13-18(15(3)4)9-11-21(19)22-20;1-15(2)17-5-7-18(8-6-17)20-12-9-19(10-13-20,11-14-20)16(3)4;1-11(2)13-5-7-14(8-6-13)17-10-16-18(20-17)9-15(19-16)12(3)4;2*1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4;1-13(2)15-5-7-17(8-6-15)18-11-9-16(10-12-18)14(3)4;1-12(2)14-5-7-15(8-6-14)16-9-10-17(13(3)4)18-11-16;1-12(2)14-5-7-15(8-6-14)17-10-9-16(11-18-17)13(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4/h5-16H,1-4H3;5-15H,1-4H3;5-8,15-16H,9-14H2,1-4H3;5-12H,1-4H3;5-6,9-10,13-14,16,18H,7-8,11-12H2,1-4H3;5-14H,1-4H3;5-8,13-14,16H,9-12H2,1-4H3;2*5-13H,1-4H3;5-12H,1-4H3;7-12H,1-4H3/b;;;;;;;;;6-5+;
InChIKeyALKDFUUUTNWYGS-NKBDWLQGSA-N
XLogP59.68
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms202
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002714.28
LogP ≤ 559.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan (CID 157152352) is 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan is CC(C)/C=C/c1ccc(C(C)C)cc1.CC(C)C#Cc1ccc(C(C)C)cc1.CC(C)c1ccc(-c2cc3oc(C(C)C)cc3s2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cn2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)nc2)cc1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3n2)cc1.CC(C)c1ccc(C23CCC(C(C)C)(CC2)CC3)cc1.CC(C)c1ccc(C2CCC(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan?
The InChIKey is ALKDFUUUTNWYGS-NKBDWLQGSA-N. The full InChI is InChI=1S/C22H24.C21H23N.C20H30.C18H20OS.C18H28.C18H22.C17H27N.2C17H21N.C14H20.C14H18/c1-15(2)17-5-7-18(8-6-17)20-11-12-21-13-19(16(3)4)9-10-22(21)14-20;1-14(2)16-5-7-17(8-6-16)20-12-10-19-13-18(15(3)4)9-11-21(19)22-20;1-15(2)17-5-7-18(8-6-17)20-12-9-19(10-13-20,11-14-20)16(3)4;1-11(2)13-5-7-14(8-6-13)17-10-16-18(20-17)9-15(19-16)12(3)4;2*1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4;1-13(2)15-5-7-17(8-6-15)18-11-9-16(10-12-18)14(3)4;1-12(2)14-5-7-15(8-6-14)16-9-10-17(13(3)4)18-11-16;1-12(2)14-5-7-15(8-6-14)17-10-9-16(11-18-17)13(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4/h5-16H,1-4H3;5-15H,1-4H3;5-8,15-16H,9-14H2,1-4H3;5-12H,1-4H3;5-6,9-10,13-14,16,18H,7-8,11-12H2,1-4H3;5-14H,1-4H3;5-8,13-14,16H,9-12H2,1-4H3;2*5-13H,1-4H3;5-12H,1-4H3;7-12H,1-4H3/b;;;;;;;;;6-5+;.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan?
1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan has a molecular weight of 2714.28 g/mol, XLogP of 59.68, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;2-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine;5-propan-2-yl-2-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-2-(4-propan-2-ylphenyl)quinoline;2-propan-2-yl-5-(4-propan-2-ylphenyl)thieno[3,2-b]furan is sourced from PubChem (CID 157152352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).