2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene

C114H154O — CID 158423995

IUPAC2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene
SMILESCOc1cc(C(C)(C)C)c(C)c2ccccc12.Cc1c(C(C)(C)C)cc(C(C)(C)C)c2ccccc12.Cc1c(C(C)(C)C)cc(C(C)C)c2ccccc12.Cc1c(C(C)(C)C)cc(C2CCCCC2)c2ccccc12.Cc1cc(C(C)(C)C)c(C)c2ccccc12.Cc1cc(C)c(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C21H28.C19H26.C18H24.C16H20O.C16H20.C13H20.C11H16/c1-15-17-12-8-9-13-18(17)19(14-20(15)21(2,3)4)16-10-6-5-7-11-16;1-13-14-10-8-9-11-15(14)17(19(5,6)7)12-16(13)18(2,3)4;1-12(2)16-11-17(18(4,5)6)13(3)14-9-7-8-10-15(14)16;1-11-12-8-6-7-9-13(12)15(17-5)10-14(11)16(2,3)4;1-11-10-15(16(3,4)5)12(2)14-9-7-6-8-13(11)14;1-9-7-10(2)11(3)12(8-9)13(4,5)6;1-9-7-5-6-8-10(9)11(2,3)4/h8-9,12-14,16H,5-7,10-11H2,1-4H3;8-12H,1-7H3;7-12H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;7-8H,1-6H3;5-8H,1-4H3
InChIKeyHAVCGJGPNUOTBD-UHFFFAOYSA-N
MW1540.48 g/mol
LogP34.22
Rot. Bonds3

About 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene

2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene (PubChem CID 158423995) has the molecular formula C114H154O and a molecular weight of 1540.48 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene.

Molecular Properties

Compound Name2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene
PubChem CID158423995
Molecular FormulaC114H154O
Molecular Weight1540.48 g/mol
Exact Mass1539.20
IUPAC Name2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene
SMILESCOc1cc(C(C)(C)C)c(C)c2ccccc12.Cc1c(C(C)(C)C)cc(C(C)(C)C)c2ccccc12.Cc1c(C(C)(C)C)cc(C(C)C)c2ccccc12.Cc1c(C(C)(C)C)cc(C2CCCCC2)c2ccccc12.Cc1cc(C(C)(C)C)c(C)c2ccccc12.Cc1cc(C)c(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C21H28.C19H26.C18H24.C16H20O.C16H20.C13H20.C11H16/c1-15-17-12-8-9-13-18(17)19(14-20(15)21(2,3)4)16-10-6-5-7-11-16;1-13-14-10-8-9-11-15(14)17(19(5,6)7)12-16(13)18(2,3)4;1-12(2)16-11-17(18(4,5)6)13(3)14-9-7-8-10-15(14)16;1-11-12-8-6-7-9-13(12)15(17-5)10-14(11)16(2,3)4;1-11-10-15(16(3,4)5)12(2)14-9-7-6-8-13(11)14;1-9-7-10(2)11(3)12(8-9)13(4,5)6;1-9-7-5-6-8-10(9)11(2,3)4/h8-9,12-14,16H,5-7,10-11H2,1-4H3;8-12H,1-7H3;7-12H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;7-8H,1-6H3;5-8H,1-4H3
InChIKeyHAVCGJGPNUOTBD-UHFFFAOYSA-N
XLogP34.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001540.48
LogP ≤ 534.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene?
The IUPAC name of 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene (CID 158423995) is 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene.
What is the SMILES notation for 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene?
The canonical SMILES for 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene is COc1cc(C(C)(C)C)c(C)c2ccccc12.Cc1c(C(C)(C)C)cc(C(C)(C)C)c2ccccc12.Cc1c(C(C)(C)C)cc(C(C)C)c2ccccc12.Cc1c(C(C)(C)C)cc(C2CCCCC2)c2ccccc12.Cc1cc(C(C)(C)C)c(C)c2ccccc12.Cc1cc(C)c(C)c(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene?
The InChIKey is HAVCGJGPNUOTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28.C19H26.C18H24.C16H20O.C16H20.C13H20.C11H16/c1-15-17-12-8-9-13-18(17)19(14-20(15)21(2,3)4)16-10-6-5-7-11-16;1-13-14-10-8-9-11-15(14)17(19(5,6)7)12-16(13)18(2,3)4;1-12(2)16-11-17(18(4,5)6)13(3)14-9-7-8-10-15(14)16;1-11-12-8-6-7-9-13(12)15(17-5)10-14(11)16(2,3)4;1-11-10-15(16(3,4)5)12(2)14-9-7-6-8-13(11)14;1-9-7-10(2)11(3)12(8-9)13(4,5)6;1-9-7-5-6-8-10(9)11(2,3)4/h8-9,12-14,16H,5-7,10-11H2,1-4H3;8-12H,1-7H3;7-12H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;7-8H,1-6H3;5-8H,1-4H3.
What are the key properties of 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene?
2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene has a molecular weight of 1540.48 g/mol, XLogP of 34.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclohexyl-1-methylnaphthalene;2-tert-butyl-1,4-dimethylnaphthalene;2-tert-butyl-4-methoxy-1-methylnaphthalene;1-tert-butyl-2-methylbenzene;2-tert-butyl-1-methyl-4-propan-2-ylnaphthalene;1-tert-butyl-2,3,5-trimethylbenzene;2,4-ditert-butyl-1-methylnaphthalene is sourced from PubChem (CID 158423995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).