2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane

C71H128O5 — CID 158913035

IUPAC2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CC3CC(C2)CC1C3.CC1(C)CC2CCC1C2.CC1(C)CC2CCC1C2(C)C.CC1(C)CCCCC1.CC1CCCCO1.CC1CCCO1.CC1COCCO1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.C12H20.C11H20.C9H16.C8H16.C6H12O.C5H10O2.C5H10O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-10(2)7-8-5-6-9(10)11(8,3)4;1-9(2)6-7-3-4-8(9)5-7;1-8(2)6-4-3-5-7-8;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-3-2-4-6-5/h8-9,16H,1-7H3;8-11H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,3-6H2,1-2H3;3-7H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3;5H,2-4H2,1H3
InChIKeyJGWRLYIAEBUBRW-UHFFFAOYSA-N
MW1061.80 g/mol
LogP20.22
Rot. Bonds

About 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane

2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane (PubChem CID 158913035) has the molecular formula C71H128O5 and a molecular weight of 1061.80 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane
PubChem CID158913035
Molecular FormulaC71H128O5
Molecular Weight1061.80 g/mol
Exact Mass1060.98
IUPAC Name2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CC3CC(C2)CC1C3.CC1(C)CC2CCC1C2.CC1(C)CC2CCC1C2(C)C.CC1(C)CCCCC1.CC1CCCCO1.CC1CCCO1.CC1COCCO1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.C12H20.C11H20.C9H16.C8H16.C6H12O.C5H10O2.C5H10O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-10(2)7-8-5-6-9(10)11(8,3)4;1-9(2)6-7-3-4-8(9)5-7;1-8(2)6-4-3-5-7-8;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-3-2-4-6-5/h8-9,16H,1-7H3;8-11H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,3-6H2,1-2H3;3-7H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3;5H,2-4H2,1H3
InChIKeyJGWRLYIAEBUBRW-UHFFFAOYSA-N
XLogP20.22
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.80
LogP ≤ 520.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The IUPAC name of 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane (CID 158913035) is 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane is CC1(C)C2CC3CC(C2)CC1C3.CC1(C)CC2CCC1C2.CC1(C)CC2CCC1C2(C)C.CC1(C)CCCCC1.CC1CCCCO1.CC1CCCO1.CC1COCCO1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The InChIKey is JGWRLYIAEBUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C12H20.C11H20.C9H16.C8H16.C6H12O.C5H10O2.C5H10O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-10(2)7-8-5-6-9(10)11(8,3)4;1-9(2)6-7-3-4-8(9)5-7;1-8(2)6-4-3-5-7-8;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-3-2-4-6-5/h8-9,16H,1-7H3;8-11H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,3-6H2,1-2H3;3-7H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane?
2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane has a molecular weight of 1061.80 g/mol, XLogP of 20.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylphenol;2,2-dimethyladamantane;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;2-methyloxolane;2,2,7,7-tetramethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 158913035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).