1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane

C25H54O — CID 158339173

IUPAC1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
SMILESC.CC(C)(C)C(C)(C)C.CC(C)(C)C1(C)CC1.CC(C)(C)C1(C)COC1
InChIInChI=1S/C8H16O.C8H16.C8H18.CH4/c1-7(2,3)8(4)5-9-6-8;1-7(2,3)8(4)5-6-8;1-7(2,3)8(4,5)6;/h5-6H2,1-4H3;5-6H2,1-4H3;1-6H3;1H4
InChIKeyGQYHZHVDABHVJB-UHFFFAOYSA-N
MW370.71 g/mol
LogP8.62
Rot. Bonds

About 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane

1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane (PubChem CID 158339173) has the molecular formula C25H54O and a molecular weight of 370.71 g/mol. Its IUPAC name is 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
PubChem CID158339173
Molecular FormulaC25H54O
Molecular Weight370.71 g/mol
Exact Mass370.42
IUPAC Name1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
SMILESC.CC(C)(C)C(C)(C)C.CC(C)(C)C1(C)CC1.CC(C)(C)C1(C)COC1
InChIInChI=1S/C8H16O.C8H16.C8H18.CH4/c1-7(2,3)8(4)5-9-6-8;1-7(2,3)8(4)5-6-8;1-7(2,3)8(4,5)6;/h5-6H2,1-4H3;5-6H2,1-4H3;1-6H3;1H4
InChIKeyGQYHZHVDABHVJB-UHFFFAOYSA-N
XLogP8.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane?
The IUPAC name of 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane (CID 158339173) is 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane.
What is the SMILES notation for 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane?
The canonical SMILES for 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane is C.CC(C)(C)C(C)(C)C.CC(C)(C)C1(C)CC1.CC(C)(C)C1(C)COC1.
What is the InChIKey of 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane?
The InChIKey is GQYHZHVDABHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H16.C8H18.CH4/c1-7(2,3)8(4)5-9-6-8;1-7(2,3)8(4)5-6-8;1-7(2,3)8(4,5)6;/h5-6H2,1-4H3;5-6H2,1-4H3;1-6H3;1H4.
What are the key properties of 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane?
1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane has a molecular weight of 370.71 g/mol, XLogP of 8.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 158339173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).