2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene

C27H40 — CID 166015651

IUPAC2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene
SMILESCc1c(C(C)(C)C)cc(C2C(C)(C)CC(C)(C)CC2(C)C)c2ccccc12
InChIInChI=1S/C27H40/c1-18-19-13-11-12-14-20(19)21(15-22(18)24(2,3)4)23-26(7,8)16-25(5,6)17-27(23,9)10/h11-15,23H,16-17H2,1-10H3
InChIKeySYTUKAJVBAVXBM-UHFFFAOYSA-N
MW364.62 g/mol
LogP8.40
Rot. Bonds1

About 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene

2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene (PubChem CID 166015651) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene.

Molecular Properties

Compound Name2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene
PubChem CID166015651
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene
SMILESCc1c(C(C)(C)C)cc(C2C(C)(C)CC(C)(C)CC2(C)C)c2ccccc12
InChIInChI=1S/C27H40/c1-18-19-13-11-12-14-20(19)21(15-22(18)24(2,3)4)23-26(7,8)16-25(5,6)17-27(23,9)10/h11-15,23H,16-17H2,1-10H3
InChIKeySYTUKAJVBAVXBM-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-4-(4,4-dimethylcyclohexyl)-1-methylanthracene
CID 155760218
2-tert-butyl-1-methyl-4-(3,3,5,5-tetramethylcyclohexyl)naphthalene;6,8-ditert-butyl-2,5-dimethylquinoline
CID 158696122
2-tert-butyl-4-methoxy-1-methylanthracene
CID 155456277
4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene
CID 170245098
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium
CID 166054743
9-tert-butyl-10-methylanthracene
CID 58161441
2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
CID 164756783
2,3-ditert-butylnaphthalene
CID 14173307
4,9-ditert-butylphenanthrene
CID 140702343
1,4-ditert-butyl-2,3-dimethylnaphthalene
CID 163647560
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
2-tert-butyl-1-chloronaphthalene
CID 134942940

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene?
The IUPAC name of 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene (CID 166015651) is 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene.
What is the SMILES notation for 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene?
The canonical SMILES for 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene is Cc1c(C(C)(C)C)cc(C2C(C)(C)CC(C)(C)CC2(C)C)c2ccccc12.
What is the InChIKey of 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene?
The InChIKey is SYTUKAJVBAVXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-18-19-13-11-12-14-20(19)21(15-22(18)24(2,3)4)23-26(7,8)16-25(5,6)17-27(23,9)10/h11-15,23H,16-17H2,1-10H3.
What are the key properties of 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene?
2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene has a molecular weight of 364.62 g/mol, XLogP of 8.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2,2,4,4,6,6-hexamethylcyclohexyl)-1-methylnaphthalene is sourced from PubChem (CID 166015651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).