2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane

C21H46O — CID 159778218

IUPAC2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane
SMILESC.CC.CC(C)(C)C1(C)OC(C)(C(C)(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C18H36O.C2H6.CH4/c1-13(2,3)17(11)15(7,8)16(9,10)18(12,19-17)14(4,5)6;1-2;/h1-12H3;1-2H3;1H4
InChIKeyNHACYARCUKLWQN-UHFFFAOYSA-N
MW314.60 g/mol
LogP7.34
Rot. Bonds

About 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane

2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane (PubChem CID 159778218) has the molecular formula C21H46O and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane.

Molecular Properties

Compound Name2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane
PubChem CID159778218
Molecular FormulaC21H46O
Molecular Weight314.60 g/mol
Exact Mass314.35
IUPAC Name2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane
SMILESC.CC.CC(C)(C)C1(C)OC(C)(C(C)(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C18H36O.C2H6.CH4/c1-13(2,3)17(11)15(7,8)16(9,10)18(12,19-17)14(4,5)6;1-2;/h1-12H3;1-2H3;1H4
InChIKeyNHACYARCUKLWQN-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane?
The IUPAC name of 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane (CID 159778218) is 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane.
What is the SMILES notation for 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane?
The canonical SMILES for 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane is C.CC.CC(C)(C)C1(C)OC(C)(C(C)(C)C)C(C)(C)C1(C)C.
What is the InChIKey of 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane?
The InChIKey is NHACYARCUKLWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C2H6.CH4/c1-13(2,3)17(11)15(7,8)16(9,10)18(12,19-17)14(4,5)6;1-2;/h1-12H3;1-2H3;1H4.
What are the key properties of 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane?
2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane has a molecular weight of 314.60 g/mol, XLogP of 7.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane is sourced from PubChem (CID 159778218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).