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

C133H263N7O5 — CID 158426426

IUPACtris(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
SMILESC=C1CCC(C(C)(C)C)CC1.C=C1CCCC(C(C)(C)C)C1.C=C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1=O.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C11H20.C10H19N.C10H18O.3C10H20.C9H17NO.2C9H19N.2C9H18O.C8H18N2.C8H17NO/c1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;3*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9/h2*10H,1,5-8H2,2-4H3;1,5-8H2,2-4H3;8H,4-7H2,1-3H3;3*9H,4-8H2,1-3H3;7H,4-6H2,1-3H3,(H,10,11);8,10H,4-7H2,1-3H3;4-8H2,1-3H3;2*8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyHBCIRJFNRPFNAV-UHFFFAOYSA-N
MW2040.61 g/mol
LogP36.70
Rot. Bonds

About 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

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 (PubChem CID 158426426) has the molecular formula C133H263N7O5 and a molecular weight of 2040.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris(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
PubChem CID158426426
Molecular FormulaC133H263N7O5
Molecular Weight2040.61 g/mol
Exact Mass2039.05
IUPAC Nametris(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
SMILESC=C1CCC(C(C)(C)C)CC1.C=C1CCCC(C(C)(C)C)C1.C=C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1=O.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C11H20.C10H19N.C10H18O.3C10H20.C9H17NO.2C9H19N.2C9H18O.C8H18N2.C8H17NO/c1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;3*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9/h2*10H,1,5-8H2,2-4H3;1,5-8H2,2-4H3;8H,4-7H2,1-3H3;3*9H,4-8H2,1-3H3;7H,4-6H2,1-3H3,(H,10,11);8,10H,4-7H2,1-3H3;4-8H2,1-3H3;2*8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyHBCIRJFNRPFNAV-UHFFFAOYSA-N
XLogP36.70
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002040.61
LogP ≤ 536.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1CCC(C(C)(C)C)CC1.C=C1CCCC(C(C)(C)C)C1.C=C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1=O.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNC(=O)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 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?
The InChIKey is HBCIRJFNRPFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20.C10H19N.C10H18O.3C10H20.C9H17NO.2C9H19N.2C9H18O.C8H18N2.C8H17NO/c1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;3*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9/h2*10H,1,5-8H2,2-4H3;1,5-8H2,2-4H3;8H,4-7H2,1-3H3;3*9H,4-8H2,1-3H3;7H,4-6H2,1-3H3,(H,10,11);8,10H,4-7H2,1-3H3;4-8H2,1-3H3;2*8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2040.61 g/mol, XLogP of 36.70, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158426426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).