tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane

C28H56O2 — CID 157181947

IUPACtert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCOC1
InChIInChI=1S/C10H20.2C9H18O/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h9H,4-8H2,1-3H3;2*8H,4-7H2,1-3H3
InChIKeyAOQZRZJNJIFONT-UHFFFAOYSA-N
MW424.75 g/mol
LogP8.67
Rot. Bonds

About tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane

tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane (PubChem CID 157181947) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane.

Molecular Properties

Compound Nametert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
PubChem CID157181947
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Nametert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCOC1
InChIInChI=1S/C10H20.2C9H18O/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h9H,4-8H2,1-3H3;2*8H,4-7H2,1-3H3
InChIKeyAOQZRZJNJIFONT-UHFFFAOYSA-N
XLogP8.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyloxane
CID 118633229
2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane
CID 134256683
tert-butylcyclopentane;2-tert-butyloxolane;methylcyclohexane;2-methyloxane;4-methyloxane
CID 167645227
3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
CID 167606183
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;3-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;2-(2,2-dimethylpropyl)-1,4-dioxane;methane
CID 158307014
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane
CID 167633592
3-tert-butyl-2-methylidene-1,3-oxazolidine;(2S)-2-tert-butyloxetane;(2S)-2-tert-butyloxolane;(3S)-3-tert-butyloxolane
CID 160804436
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
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
CID 162060129
tert-butylcyclopentadecane
CID 164774831
2-(oxan-3-yl)propan-2-amine
CID 82417868

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane?
The IUPAC name of tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane (CID 157181947) is tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane.
What is the SMILES notation for tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane?
The canonical SMILES for tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane is CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCOC1.
What is the InChIKey of tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane?
The InChIKey is AOQZRZJNJIFONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2C9H18O/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h9H,4-8H2,1-3H3;2*8H,4-7H2,1-3H3.
What are the key properties of tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane?
tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane has a molecular weight of 424.75 g/mol, XLogP of 8.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane is sourced from PubChem (CID 157181947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).