(4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane

C218H326Cl4FN13O6S4 — CID 160575666

IUPAC(4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane
SMILESC=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1=CCC(Oc2ccccc2)C=C1.CC(C)(C)C1CC=CCC1.CC(C)(C)C1Cc2cc(F)ccc2O1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.CC(C)(C)CCc1ccc(Cl)cc1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)CSCc1ccccn1.CC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1cc(Cl)sc1Cl.CC(C)(C)c1ccc(CC2CC2)nc1.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1
InChIInChI=1S/C16H25NO2S.C16H20O.C15H22.C14H19N3.C14H18O.C13H17NS.C13H19N.C12H17Cl.C12H15FO.C12H20N2.C11H15Cl.C11H18N2.C11H17NS.C11H17N.C10H19NO.C10H18.C9H20.C8H10Cl2S/c1-16(2,3)10-11-17-20(18,19)15-9-8-13-6-4-5-7-14(13)12-15;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-13(2,3)11-6-7-12(14-9-11)8-10-4-5-10;1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)7-4-6-10-12-8-5-9-13-10;1-11(2,3)9-13-8-10-6-4-5-7-12-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5;1-8(2,3)5-4-6(9)11-7(5)10/h8-9,12,17H,4-7,10-11H2,1-3H3;4-11,15H,12H2,1-3H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;5-7H,1,8-9H2,2-4H3;4-7H,8-9H2,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4-6,11H,7H2,1-3H3;6,9-10H,4-5,7-8H2,1-3H3;4-7H,8H2,1-3H3;5,8-9H,4,6-7H2,1-3H3;4-7H,8-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3;4H,1-3H3
InChIKeyRBCPVOCPMWLJDS-UHFFFAOYSA-N
MW3514.17 g/mol
LogP63.10
Rot. Bonds29

About (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane

(4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane (PubChem CID 160575666) has the molecular formula C218H326Cl4FN13O6S4 and a molecular weight of 3514.17 g/mol. Its IUPAC name is (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane.

Molecular Properties

Compound Name(4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane
PubChem CID160575666
Molecular FormulaC218H326Cl4FN13O6S4
Molecular Weight3514.17 g/mol
Exact Mass3509.32
IUPAC Name(4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane
SMILESC=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1=CCC(Oc2ccccc2)C=C1.CC(C)(C)C1CC=CCC1.CC(C)(C)C1Cc2cc(F)ccc2O1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.CC(C)(C)CCc1ccc(Cl)cc1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)CSCc1ccccn1.CC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1cc(Cl)sc1Cl.CC(C)(C)c1ccc(CC2CC2)nc1.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1
InChIInChI=1S/C16H25NO2S.C16H20O.C15H22.C14H19N3.C14H18O.C13H17NS.C13H19N.C12H17Cl.C12H15FO.C12H20N2.C11H15Cl.C11H18N2.C11H17NS.C11H17N.C10H19NO.C10H18.C9H20.C8H10Cl2S/c1-16(2,3)10-11-17-20(18,19)15-9-8-13-6-4-5-7-14(13)12-15;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-13(2,3)11-6-7-12(14-9-11)8-10-4-5-10;1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)7-4-6-10-12-8-5-9-13-10;1-11(2,3)9-13-8-10-6-4-5-7-12-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5;1-8(2,3)5-4-6(9)11-7(5)10/h8-9,12,17H,4-7,10-11H2,1-3H3;4-11,15H,12H2,1-3H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;5-7H,1,8-9H2,2-4H3;4-7H,8-9H2,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4-6,11H,7H2,1-3H3;6,9-10H,4-5,7-8H2,1-3H3;4-7H,8H2,1-3H3;5,8-9H,4,6-7H2,1-3H3;4-7H,8-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3;4H,1-3H3
InChIKeyRBCPVOCPMWLJDS-UHFFFAOYSA-N
XLogP63.10
TPSA228.00 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003514.17
LogP ≤ 563.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane?
The IUPAC name of (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane (CID 160575666) is (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane.
What is the SMILES notation for (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane?
The canonical SMILES for (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane is C=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1=CCC(Oc2ccccc2)C=C1.CC(C)(C)C1CC=CCC1.CC(C)(C)C1Cc2cc(F)ccc2O1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.CC(C)(C)CCc1ccc(Cl)cc1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)CSCc1ccccn1.CC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1cc(Cl)sc1Cl.CC(C)(C)c1ccc(CC2CC2)nc1.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1.
What is the InChIKey of (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane?
The InChIKey is RBCPVOCPMWLJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S.C16H20O.C15H22.C14H19N3.C14H18O.C13H17NS.C13H19N.C12H17Cl.C12H15FO.C12H20N2.C11H15Cl.C11H18N2.C11H17NS.C11H17N.C10H19NO.C10H18.C9H20.C8H10Cl2S/c1-16(2,3)10-11-17-20(18,19)15-9-8-13-6-4-5-7-14(13)12-15;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-10-8-11-6-5-7-12(14(2,3)4)13(11)15-9-10;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-13(2,3)11-6-7-12(14-9-11)8-10-4-5-10;1-12(2,3)9-8-10-4-6-11(13)7-5-10;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)7-4-6-10-12-8-5-9-13-10;1-11(2,3)9-13-8-10-6-4-5-7-12-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5;1-8(2,3)5-4-6(9)11-7(5)10/h8-9,12,17H,4-7,10-11H2,1-3H3;4-11,15H,12H2,1-3H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;5-7H,1,8-9H2,2-4H3;4-7H,8-9H2,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;4-7H,8-9H2,1-3H3;4-6,11H,7H2,1-3H3;6,9-10H,4-5,7-8H2,1-3H3;4-7H,8H2,1-3H3;5,8-9H,4,6-7H2,1-3H3;4-7H,8-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3;4H,1-3H3.
What are the key properties of (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane?
(4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane has a molecular weight of 3514.17 g/mol, XLogP of 63.10, 29 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexa-2,4-dien-1-yl)oxybenzene;4-tert-butylcyclohexene;5-tert-butyl-2-(cyclopropylmethyl)pyridine;3-tert-butyl-2,5-dichlorothiophene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-fluoro-2,3-dihydro-1-benzofuran;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-chloro-4-(3,3-dimethylbutyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;2,2,5-trimethylhexane is sourced from PubChem (CID 160575666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).