[1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane

C137H218Cl13F5O7Si6 — CID 159606876

IUPAC[1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCC12CCC(C)(CC1)O2)c1c(Cl)cc(F)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(C)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(Cl)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(F)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cccc1C(F)(F)F.CC[Si](CC)(CC)OC(CCCC1CCC(C)(C)CC1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C24H39Cl3OSi.C23H35Cl2FO2Si.C23H38Cl2OSi.C23H36ClF3OSi.C22H35Cl3OSi.C22H35Cl2FOSi/c1-6-29(7-2,8-3)28-22(23-20(26)16-19(25)17-21(23)27)11-9-10-18-12-14-24(4,5)15-13-18;1-5-29(6-2,7-3)27-20(21-18(24)15-17(26)16-19(21)25)9-8-10-23-13-11-22(4,28-23)12-14-23;1-7-27(8-2,9-3)26-21(12-10-11-18-15-23(5,6)16-18)22-19(24)13-17(4)14-20(22)25;1-6-29(7-2,8-3)28-20(14-9-11-17-15-22(4,5)16-17)21-18(23(25,26)27)12-10-13-19(21)24;1-6-27(7-2,8-3)26-20(11-9-10-16-14-22(4,5)15-16)21-18(24)12-17(23)13-19(21)25;1-6-27(7-2,8-3)26-20(11-9-10-16-14-22(4,5)15-16)21-18(23)12-17(25)13-19(21)24/h16-18,22H,6-15H2,1-5H3;15-16,20H,5-14H2,1-4H3;13-14,18,21H,7-12,15-16H2,1-6H3;10,12-13,17,20H,6-9,11,14-16H2,1-5H3;2*12-13,16,20H,6-11,14-15H2,1-5H3
InChIKeyMMEONSIODMJUIQ-UHFFFAOYSA-N
MW2701.64 g/mol
LogP54.68
Rot. Bonds60

About [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane

[1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane (PubChem CID 159606876) has the molecular formula C137H218Cl13F5O7Si6 and a molecular weight of 2701.64 g/mol. Its IUPAC name is [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane.

Molecular Properties

Compound Name[1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane
PubChem CID159606876
Molecular FormulaC137H218Cl13F5O7Si6
Molecular Weight2701.64 g/mol
Exact Mass2693.12
IUPAC Name[1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCC12CCC(C)(CC1)O2)c1c(Cl)cc(F)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(C)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(Cl)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(F)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cccc1C(F)(F)F.CC[Si](CC)(CC)OC(CCCC1CCC(C)(C)CC1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C24H39Cl3OSi.C23H35Cl2FO2Si.C23H38Cl2OSi.C23H36ClF3OSi.C22H35Cl3OSi.C22H35Cl2FOSi/c1-6-29(7-2,8-3)28-22(23-20(26)16-19(25)17-21(23)27)11-9-10-18-12-14-24(4,5)15-13-18;1-5-29(6-2,7-3)27-20(21-18(24)15-17(26)16-19(21)25)9-8-10-23-13-11-22(4,28-23)12-14-23;1-7-27(8-2,9-3)26-21(12-10-11-18-15-23(5,6)16-18)22-19(24)13-17(4)14-20(22)25;1-6-29(7-2,8-3)28-20(14-9-11-17-15-22(4,5)16-17)21-18(23(25,26)27)12-10-13-19(21)24;1-6-27(7-2,8-3)26-20(11-9-10-16-14-22(4,5)15-16)21-18(24)12-17(23)13-19(21)25;1-6-27(7-2,8-3)26-20(11-9-10-16-14-22(4,5)15-16)21-18(23)12-17(25)13-19(21)24/h16-18,22H,6-15H2,1-5H3;15-16,20H,5-14H2,1-4H3;13-14,18,21H,7-12,15-16H2,1-6H3;10,12-13,17,20H,6-9,11,14-16H2,1-5H3;2*12-13,16,20H,6-11,14-15H2,1-5H3
InChIKeyMMEONSIODMJUIQ-UHFFFAOYSA-N
XLogP54.68
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds60
Heavy Atoms168
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002701.64
LogP ≤ 554.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane?
The IUPAC name of [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane (CID 159606876) is [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane.
What is the SMILES notation for [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane?
The canonical SMILES for [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCCC12CCC(C)(CC1)O2)c1c(Cl)cc(F)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(C)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(Cl)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cc(F)cc1Cl.CC[Si](CC)(CC)OC(CCCC1CC(C)(C)C1)c1c(Cl)cccc1C(F)(F)F.CC[Si](CC)(CC)OC(CCCC1CCC(C)(C)CC1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane?
The InChIKey is MMEONSIODMJUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39Cl3OSi.C23H35Cl2FO2Si.C23H38Cl2OSi.C23H36ClF3OSi.C22H35Cl3OSi.C22H35Cl2FOSi/c1-6-29(7-2,8-3)28-22(23-20(26)16-19(25)17-21(23)27)11-9-10-18-12-14-24(4,5)15-13-18;1-5-29(6-2,7-3)27-20(21-18(24)15-17(26)16-19(21)25)9-8-10-23-13-11-22(4,28-23)12-14-23;1-7-27(8-2,9-3)26-21(12-10-11-18-15-23(5,6)16-18)22-19(24)13-17(4)14-20(22)25;1-6-29(7-2,8-3)28-20(14-9-11-17-15-22(4,5)16-17)21-18(23(25,26)27)12-10-13-19(21)24;1-6-27(7-2,8-3)26-20(11-9-10-16-14-22(4,5)15-16)21-18(24)12-17(23)13-19(21)25;1-6-27(7-2,8-3)26-20(11-9-10-16-14-22(4,5)15-16)21-18(23)12-17(25)13-19(21)24/h16-18,22H,6-15H2,1-5H3;15-16,20H,5-14H2,1-4H3;13-14,18,21H,7-12,15-16H2,1-6H3;10,12-13,17,20H,6-9,11,14-16H2,1-5H3;2*12-13,16,20H,6-11,14-15H2,1-5H3.
What are the key properties of [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane?
[1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane has a molecular weight of 2701.64 g/mol, XLogP of 54.68, 60 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(trifluoromethyl)phenyl]-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-fluorophenyl)-4-(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)butoxy]-triethylsilane;[1-(2,6-dichloro-4-methylphenyl)-4-(3,3-dimethylcyclobutyl)butoxy]-triethylsilane;[4-(3,3-dimethylcyclobutyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane;[4-(4,4-dimethylcyclohexyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane is sourced from PubChem (CID 159606876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).