3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine

C63H128N2O3 — CID 167606183

IUPAC3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CNC1.CC(C)(C)C1COC1
InChIInChI=1S/C9H18.C8H17N.2C8H16O.2C8H16.C7H15N.C7H14O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;2*1-7(2,3)6-4-8-5-6/h8H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;6,8H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyKKJRXCLIMOSCSZ-UHFFFAOYSA-N
MW961.73 g/mol
LogP17.74
Rot. Bonds

About 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine

3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine (PubChem CID 167606183) has the molecular formula C63H128N2O3 and a molecular weight of 961.73 g/mol. Its IUPAC name is 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine.

Molecular Properties

Compound Name3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
PubChem CID167606183
Molecular FormulaC63H128N2O3
Molecular Weight961.73 g/mol
Exact Mass960.99
IUPAC Name3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CNC1.CC(C)(C)C1COC1
InChIInChI=1S/C9H18.C8H17N.2C8H16O.2C8H16.C7H15N.C7H14O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;2*1-7(2,3)6-4-8-5-6/h8H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;6,8H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyKKJRXCLIMOSCSZ-UHFFFAOYSA-N
XLogP17.74
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.73
LogP ≤ 517.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine with MolForge

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Related Compounds

3-tert-butylazetidine;bis(tert-butylcyclobutane);tetrakis(tert-butylcyclopentane);3-tert-butyloxetane
CID 161214182
tert-butylcyclohexane;bis(2-tert-butyloxane);bis(3-tert-butyloxane);4-tert-butyloxane;2-tert-butylpiperazine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine
CID 158338230
tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
CID 157181947
2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane
CID 134256683
tert-butylcyclohexane;3-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;2-(2,2-dimethylpropyl)-1,4-dioxane;methane
CID 158307014
bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine
CID 167694902
(2S)-2-tert-butyloxane
CID 118633229
3-tert-butyl-2-methylidene-1,3-oxazolidine;(2S)-2-tert-butyloxetane;(2S)-2-tert-butyloxolane;(3S)-3-tert-butyloxolane
CID 160804436
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
CID 162060129
4-tert-butyloxane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161225048
4-tert-butyloxane;4-tert-butyloxepane;3-tert-butyloxetane;3-tert-butyloxolane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 158021151
(3R)-3-tert-butylpiperidine
CID 59772800

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine?
The IUPAC name of 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine (CID 167606183) is 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine.
What is the SMILES notation for 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine?
The canonical SMILES for 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine is CC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CNC1.CC(C)(C)C1COC1.
What is the InChIKey of 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine?
The InChIKey is KKJRXCLIMOSCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H17N.2C8H16O.2C8H16.C7H15N.C7H14O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;2*1-7(2,3)6-4-8-5-6/h8H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;6,8H,4-5H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine?
3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine has a molecular weight of 961.73 g/mol, XLogP of 17.74, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine is sourced from PubChem (CID 167606183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).