tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane

C58H116O3 — CID 162060129

IUPACtert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCOC1.CC(C)(C)CC1CC1.CC(C)(C)CC1COC1
InChIInChI=1S/C10H20.C9H18O.2C8H16O.2C8H16.C7H14/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)4-7-5-9-6-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyYZSJIQVTMORZME-UHFFFAOYSA-N
MW861.56 g/mol
LogP18.32
Rot. Bonds2

About tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane

tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane (PubChem CID 162060129) has the molecular formula C58H116O3 and a molecular weight of 861.56 g/mol. Its IUPAC name is tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane.

Molecular Properties

Compound Nametert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
PubChem CID162060129
Molecular FormulaC58H116O3
Molecular Weight861.56 g/mol
Exact Mass860.89
IUPAC Nametert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCOC1.CC(C)(C)CC1CC1.CC(C)(C)CC1COC1
InChIInChI=1S/C10H20.C9H18O.2C8H16O.2C8H16.C7H14/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)4-7-5-9-6-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyYZSJIQVTMORZME-UHFFFAOYSA-N
XLogP18.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.56
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane with MolForge

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Related Compounds

tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2,2-dimethylpropylcyclobutane;2,2-dimethylpropylcyclohexane;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane
CID 161188745
tert-butylcyclohexane;3-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;2-(2,2-dimethylpropyl)-1,4-dioxane;methane
CID 158307014
tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
CID 160715730
4-tert-butyloxane;4-tert-butyloxepane;3-tert-butyloxetane;3-tert-butyloxolane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 158021151
tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
CID 157181947
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane
CID 167076671
4-tert-butyloxane;3-tert-butyloxetane;ethane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
CID 162123422
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
CID 160519713
3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
CID 167606183
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane?
The IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane (CID 162060129) is tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane.
What is the SMILES notation for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane?
The canonical SMILES for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane is CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCOC1.CC(C)(C)CC1CC1.CC(C)(C)CC1COC1.
What is the InChIKey of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane?
The InChIKey is YZSJIQVTMORZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H18O.2C8H16O.2C8H16.C7H14/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)4-7-5-9-6-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane?
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane has a molecular weight of 861.56 g/mol, XLogP of 18.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane is sourced from PubChem (CID 162060129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).