1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene

C168H314N4 — CID 158526422

IUPAC1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene
SMILESCC(C)(C)C1=CCC(C(C)(C)C)CC1.CC(C)(C)C1=CCC2(CC1)CC2.CC(C)(C)C1=CCC2(CCCC2)CC1.CC(C)(C)C1=CCC2(CCCCC2)CC1.CC(C)(C)C1=CCCCC1.CC(C)(C)N1CCCCC1.CC(C)C1CC=C(C(C)(C)C)CC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1CC=C(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1CC=C(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CC=C(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H26.C14H24.C14H26.2C13H24.C12H25N.C12H20.2C12H22.C11H23N.C11H20.C10H21N.C10H18.C9H19N/c1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-12;1-11(2,3)10-6-8-12(4,5)9-7-10;1-5-10-6-8-11(9-7-10)12(2,3)4;1-5-10-6-8-12(9-7-10)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h7H,4-6,8-12H2,1-3H3;6H,4-5,7-11H2,1-3H3;7,12H,8-10H2,1-6H3;8,10-11H,6-7,9H2,1-5H3;9,11H,5-8,10H2,1-4H3;11H,5-10H2,1-4H3;4H,5-9H2,1-3H3;6H,7-9H2,1-5H3;8,10H,5-7,9H2,1-4H3;10H,5-9H2,1-4H3;7,9H,5-6,8H2,1-4H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3
InChIKeyHMVLYXCRBLKIBI-UHFFFAOYSA-N
MW2390.39 g/mol
LogP54.14
Rot. Bonds7

About 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene

1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene (PubChem CID 158526422) has the molecular formula C168H314N4 and a molecular weight of 2390.39 g/mol. Its IUPAC name is 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene.

Molecular Properties

Compound Name1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene
PubChem CID158526422
Molecular FormulaC168H314N4
Molecular Weight2390.39 g/mol
Exact Mass2388.47
IUPAC Name1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene
SMILESCC(C)(C)C1=CCC(C(C)(C)C)CC1.CC(C)(C)C1=CCC2(CC1)CC2.CC(C)(C)C1=CCC2(CCCC2)CC1.CC(C)(C)C1=CCC2(CCCCC2)CC1.CC(C)(C)C1=CCCCC1.CC(C)(C)N1CCCCC1.CC(C)C1CC=C(C(C)(C)C)CC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1CC=C(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1CC=C(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CC=C(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H26.C14H24.C14H26.2C13H24.C12H25N.C12H20.2C12H22.C11H23N.C11H20.C10H21N.C10H18.C9H19N/c1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-12;1-11(2,3)10-6-8-12(4,5)9-7-10;1-5-10-6-8-11(9-7-10)12(2,3)4;1-5-10-6-8-12(9-7-10)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h7H,4-6,8-12H2,1-3H3;6H,4-5,7-11H2,1-3H3;7,12H,8-10H2,1-6H3;8,10-11H,6-7,9H2,1-5H3;9,11H,5-8,10H2,1-4H3;11H,5-10H2,1-4H3;4H,5-9H2,1-3H3;6H,7-9H2,1-5H3;8,10H,5-7,9H2,1-4H3;10H,5-9H2,1-4H3;7,9H,5-6,8H2,1-4H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3
InChIKeyHMVLYXCRBLKIBI-UHFFFAOYSA-N
XLogP54.14
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002390.39
LogP ≤ 554.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene?
The IUPAC name of 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene (CID 158526422) is 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene.
What is the SMILES notation for 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene?
The canonical SMILES for 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene is CC(C)(C)C1=CCC(C(C)(C)C)CC1.CC(C)(C)C1=CCC2(CC1)CC2.CC(C)(C)C1=CCC2(CCCC2)CC1.CC(C)(C)C1=CCC2(CCCCC2)CC1.CC(C)(C)C1=CCCCC1.CC(C)(C)N1CCCCC1.CC(C)C1CC=C(C(C)(C)C)CC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1CC=C(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1CC=C(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CC=C(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene?
The InChIKey is HMVLYXCRBLKIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26.C14H24.C14H26.2C13H24.C12H25N.C12H20.2C12H22.C11H23N.C11H20.C10H21N.C10H18.C9H19N/c1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-12;1-11(2,3)10-6-8-12(4,5)9-7-10;1-5-10-6-8-11(9-7-10)12(2,3)4;1-5-10-6-8-12(9-7-10)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h7H,4-6,8-12H2,1-3H3;6H,4-5,7-11H2,1-3H3;7,12H,8-10H2,1-6H3;8,10-11H,6-7,9H2,1-5H3;9,11H,5-8,10H2,1-4H3;11H,5-10H2,1-4H3;4H,5-9H2,1-3H3;6H,7-9H2,1-5H3;8,10H,5-7,9H2,1-4H3;10H,5-9H2,1-4H3;7,9H,5-6,8H2,1-4H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3.
What are the key properties of 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene?
1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene has a molecular weight of 2390.39 g/mol, XLogP of 54.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-ethylcyclohexene;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propan-2-ylcyclohexene;1-tert-butyl-4-propylcyclohexene;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;1,4-ditert-butylcyclohexene is sourced from PubChem (CID 158526422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).