4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene

C160H235ClFN11O3S2 — CID 159939834

IUPAC4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCc1ccc(F)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)c1ccc(Oc2ccccc2)cc1.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1
InChIInChI=1S/C16H18O.C15H22.C14H19N3.C14H18O.C13H17NS.C12H17F.C12H20N2.C11H15Cl.C11H18N2.C11H17NS.C11H17N.C10H19NO.C10H18/c1-16(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;1-12(2,3)9-8-10-4-6-11(13)7-5-10;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/h4-12H,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;4-7H,8-9H2,1-3H3;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
InChIKeyOASSCBAQRKPMPH-UHFFFAOYSA-N
MW2479.30 g/mol
LogP45.39
Rot. Bonds21

About 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene

4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 159939834) has the molecular formula C160H235ClFN11O3S2 and a molecular weight of 2479.30 g/mol. Its IUPAC name is 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID159939834
Molecular FormulaC160H235ClFN11O3S2
Molecular Weight2479.30 g/mol
Exact Mass2476.77
IUPAC Name4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCc1ccc(F)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)c1ccc(Oc2ccccc2)cc1.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1
InChIInChI=1S/C16H18O.C15H22.C14H19N3.C14H18O.C13H17NS.C12H17F.C12H20N2.C11H15Cl.C11H18N2.C11H17NS.C11H17N.C10H19NO.C10H18/c1-16(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;1-12(2,3)9-8-10-4-6-11(13)7-5-10;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/h4-12H,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;4-7H,8-9H2,1-3H3;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
InChIKeyOASSCBAQRKPMPH-UHFFFAOYSA-N
XLogP45.39
TPSA159.71 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002479.30
LogP ≤ 545.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene (CID 159939834) is 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene is C=C1COc2c(cccc2C(C)(C)C)C1.CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCCc1ncccn1.CC(C)(C)CCc1ccc(F)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)c1ccc(Oc2ccccc2)cc1.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1.
What is the InChIKey of 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OASSCBAQRKPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C15H22.C14H19N3.C14H18O.C13H17NS.C12H17F.C12H20N2.C11H15Cl.C11H18N2.C11H17NS.C11H17N.C10H19NO.C10H18/c1-16(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;1-12(2,3)9-8-10-4-6-11(13)7-5-10;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/h4-12H,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;4-7H,8-9H2,1-3H3;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.
What are the key properties of 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene?
4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2479.30 g/mol, XLogP of 45.39, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexene;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;8-tert-butyl-3-methylidene-4H-chromene;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2-(3,3-dimethylbutyl)-1,3-benzothiazole;1-(3,3-dimethylbutyl)-4-fluorobenzene;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;2-(4,4-dimethylpentyl)pyrimidine;2-(2,2-dimethylpropylsulfanylmethyl)pyridine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159939834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).