1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane

C213H330F8 — CID 161131328

IUPAC1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane
SMILESCC.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)=CCCC(C)CCC(C)C.CC(C)=CCCC(C)CCc1ccc(C(C)(C)C)cc1.CC(C)=CCCCCC(C)CCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CCCCC(C)C(C)(C)C.CCCCC(C)CC(C)(C)C.CCCCC(CC)CC(C)(C)C.CCCCCCCCCCC(C)CC(C)(C)C.Cc1c(F)c(F)c(-c2ccc(C(C)(C)C)cc2)c(F)c1F.Cc1c(F)c(F)c(-c2ccc(C(C)(C)C)cc2)c(F)c1F.Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H40.C20H32.2C17H16F4.C17H20.C17H36.C16H18.C13H26.C12H26.3C11H16.C11H24.C10H22.C2H6/c1-22(2)10-8-7-9-11-23(3)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)28(4,5)6;1-16(2)8-7-9-17(3)10-11-18-12-14-19(15-13-18)20(4,5)6;2*1-9-13(18)15(20)12(16(21)14(9)19)10-5-7-11(8-6-10)17(2,3)4;1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4;1-6-7-8-9-10-11-12-13-14-16(2)15-17(3,4)5;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-11(2)7-6-8-13(5)10-9-12(3)4;1-6-8-9-11(7-2)10-12(3,4)5;3*1-9-5-7-10(8-6-9)11(2,3)4;1-6-7-8-10(2)9-11(3,4)5;1-6-7-8-9(2)10(3,4)5;1-2/h10,14-21,23H,7-9,11-13H2,1-6H3;8,12-15,17H,7,9-11H2,1-6H3;2*5-8H,1-4H3;5-12H,1-4H3;16H,6-15H2,1-5H3;4-12H,1-3H3;7,12-13H,6,8-10H2,1-5H3;11H,6-10H2,1-5H3;3*5-8H,1-4H3;10H,6-9H2,1-5H3;9H,6-8H2,1-5H3;1-2H3
InChIKeyUMFOJPAOWSOZLG-UHFFFAOYSA-N
MW3042.97 g/mol
LogP70.73
Rot. Bonds47

About 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane

1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane (PubChem CID 161131328) has the molecular formula C213H330F8 and a molecular weight of 3042.97 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane
PubChem CID161131328
Molecular FormulaC213H330F8
Molecular Weight3042.97 g/mol
Exact Mass3040.57
IUPAC Name1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane
SMILESCC.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)=CCCC(C)CCC(C)C.CC(C)=CCCC(C)CCc1ccc(C(C)(C)C)cc1.CC(C)=CCCCCC(C)CCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CCCCC(C)C(C)(C)C.CCCCC(C)CC(C)(C)C.CCCCC(CC)CC(C)(C)C.CCCCCCCCCCC(C)CC(C)(C)C.Cc1c(F)c(F)c(-c2ccc(C(C)(C)C)cc2)c(F)c1F.Cc1c(F)c(F)c(-c2ccc(C(C)(C)C)cc2)c(F)c1F.Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H40.C20H32.2C17H16F4.C17H20.C17H36.C16H18.C13H26.C12H26.3C11H16.C11H24.C10H22.C2H6/c1-22(2)10-8-7-9-11-23(3)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)28(4,5)6;1-16(2)8-7-9-17(3)10-11-18-12-14-19(15-13-18)20(4,5)6;2*1-9-13(18)15(20)12(16(21)14(9)19)10-5-7-11(8-6-10)17(2,3)4;1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4;1-6-7-8-9-10-11-12-13-14-16(2)15-17(3,4)5;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-11(2)7-6-8-13(5)10-9-12(3)4;1-6-8-9-11(7-2)10-12(3,4)5;3*1-9-5-7-10(8-6-9)11(2,3)4;1-6-7-8-10(2)9-11(3,4)5;1-6-7-8-9(2)10(3,4)5;1-2/h10,14-21,23H,7-9,11-13H2,1-6H3;8,12-15,17H,7,9-11H2,1-6H3;2*5-8H,1-4H3;5-12H,1-4H3;16H,6-15H2,1-5H3;4-12H,1-3H3;7,12-13H,6,8-10H2,1-5H3;11H,6-10H2,1-5H3;3*5-8H,1-4H3;10H,6-9H2,1-5H3;9H,6-8H2,1-5H3;1-2H3
InChIKeyUMFOJPAOWSOZLG-UHFFFAOYSA-N
XLogP70.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds47
Heavy Atoms221
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003042.97
LogP ≤ 570.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane with MolForge

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Related Compounds

ethane;3-ethyl-2,2-dimethylheptane;methane;2,6,9,9-tetramethyldec-2-ene;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,3-trimethyltridecane
CID 159438478
1-methyl-4-(4-methylnonyl)benzene
CID 59776274
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
CID 145203938
3-ethylundecylbenzene
CID 101046196
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
4-ethyl-2,2-dimethylundecane
CID 57148290
1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene
CID 161343759
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
[10,13-dimethyl-15-(4-methylphenyl)pentadecyl]-trimethylazanium
CID 155788524

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane?
The IUPAC name of 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane (CID 161131328) is 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane.
What is the SMILES notation for 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane?
The canonical SMILES for 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane is CC.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)=CCCC(C)CCC(C)C.CC(C)=CCCC(C)CCc1ccc(C(C)(C)C)cc1.CC(C)=CCCCCC(C)CCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CCCCC(C)C(C)(C)C.CCCCC(C)CC(C)(C)C.CCCCC(CC)CC(C)(C)C.CCCCCCCCCCC(C)CC(C)(C)C.Cc1c(F)c(F)c(-c2ccc(C(C)(C)C)cc2)c(F)c1F.Cc1c(F)c(F)c(-c2ccc(C(C)(C)C)cc2)c(F)c1F.Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane?
The InChIKey is UMFOJPAOWSOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40.C20H32.2C17H16F4.C17H20.C17H36.C16H18.C13H26.C12H26.3C11H16.C11H24.C10H22.C2H6/c1-22(2)10-8-7-9-11-23(3)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)28(4,5)6;1-16(2)8-7-9-17(3)10-11-18-12-14-19(15-13-18)20(4,5)6;2*1-9-13(18)15(20)12(16(21)14(9)19)10-5-7-11(8-6-10)17(2,3)4;1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4;1-6-7-8-9-10-11-12-13-14-16(2)15-17(3,4)5;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-11(2)7-6-8-13(5)10-9-12(3)4;1-6-8-9-11(7-2)10-12(3,4)5;3*1-9-5-7-10(8-6-9)11(2,3)4;1-6-7-8-10(2)9-11(3,4)5;1-6-7-8-9(2)10(3,4)5;1-2/h10,14-21,23H,7-9,11-13H2,1-6H3;8,12-15,17H,7,9-11H2,1-6H3;2*5-8H,1-4H3;5-12H,1-4H3;16H,6-15H2,1-5H3;4-12H,1-3H3;7,12-13H,6,8-10H2,1-5H3;11H,6-10H2,1-5H3;3*5-8H,1-4H3;10H,6-9H2,1-5H3;9H,6-8H2,1-5H3;1-2H3.
What are the key properties of 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane?
1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane has a molecular weight of 3042.97 g/mol, XLogP of 70.73, 47 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(3,9-dimethyldec-8-enyl)phenyl]benzene;1-tert-butyl-4-(3,7-dimethyloct-6-enyl)benzene;tris(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-(4-methylphenyl)benzene;1-tert-butyl-4-phenylbenzene;bis(1-(4-tert-butylphenyl)-2,3,5,6-tetrafluoro-4-methylbenzene);ethane;4-ethyl-2,2-dimethyloctane;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,4-trimethyltetradecane is sourced from PubChem (CID 161131328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).