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

C90H185N5O5 — CID 158338230

IUPACtert-butylcyclohexane;bis(2-tert-butyloxane);bis(3-tert-butyloxane);4-tert-butyloxane;2-tert-butylpiperazine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CNCCN1
InChIInChI=1S/C10H20.3C9H19N.5C9H18O.C8H18N2/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h9H,4-8H2,1-3H3;3*8,10H,4-7H2,1-3H3;5*8H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3
InChIKeyGQVQJZZRAYSMHG-UHFFFAOYSA-N
MW1417.50 g/mol
LogP23.03
Rot. Bonds

About 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

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 (PubChem CID 158338230) has the molecular formula C90H185N5O5 and a molecular weight of 1417.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butylcyclohexane;bis(2-tert-butyloxane);bis(3-tert-butyloxane);4-tert-butyloxane;2-tert-butylpiperazine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine
PubChem CID158338230
Molecular FormulaC90H185N5O5
Molecular Weight1417.50 g/mol
Exact Mass1416.44
IUPAC Nametert-butylcyclohexane;bis(2-tert-butyloxane);bis(3-tert-butyloxane);4-tert-butyloxane;2-tert-butylpiperazine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CNCCN1
InChIInChI=1S/C10H20.3C9H19N.5C9H18O.C8H18N2/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h9H,4-8H2,1-3H3;3*8,10H,4-7H2,1-3H3;5*8H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3
InChIKeyGQVQJZZRAYSMHG-UHFFFAOYSA-N
XLogP23.03
TPSA106.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001417.50
LogP ≤ 523.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
CID 167606183
tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
CID 164979916
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-butylcyclopentane;2-tert-butyloxolane;methylcyclohexane;2-methyloxane;4-methyloxane
CID 167645227
(3R)-3-tert-butylpiperidine
CID 59772800
tris(tert-butylcyclohexane);2-tert-butylcyclohexan-1-one;1-tert-butyl-3-methylidenecyclohexane;1-tert-butyl-4-methylidenecyclohexane;1-tert-butyl-2-methylidenepiperidine;4-tert-butylmorpholine;2-tert-butyloxane;3-tert-butyloxane;1-tert-butylpiperazine;1-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidin-2-one
CID 158426426
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
CID 112565009
(2S)-2-tert-butyloxane
CID 118633229
4-tert-butyloxane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161225048
3-tert-butyl-2-methylidene-1,3-oxazolidine;(2S)-2-tert-butyloxetane;(2S)-2-tert-butyloxolane;(3S)-3-tert-butyloxolane
CID 160804436

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CNCCN1.
What is the InChIKey of 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?
The InChIKey is GQVQJZZRAYSMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.3C9H19N.5C9H18O.C8H18N2/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h9H,4-8H2,1-3H3;3*8,10H,4-7H2,1-3H3;5*8H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1417.50 g/mol, XLogP of 23.03, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158338230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).