1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane

C69H132N2 — CID 158326042

IUPAC1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)C1CCC2(CCCC2)CC1.CC(C)(C)N1CCCCC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1(CC)CC=C(C(C)(C)C)CC1
InChIInChI=1S/2C14H26.C12H22.C10H21N.C10H18.C9H19N/c1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-6-14(7-2)10-8-12(9-11-14)13(3,4)5;1-11(2,3)10-6-8-12(4,5)9-7-10;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/h12H,4-11H2,1-3H3;8H,6-7,9-11H2,1-5H3;6H,7-9H2,1-5H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3
InChIKeyGPKMZANWEOLTNG-UHFFFAOYSA-N
MW989.83 g/mol
LogP22.22
Rot. Bonds2

About 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane

1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane (PubChem CID 158326042) has the molecular formula C69H132N2 and a molecular weight of 989.83 g/mol. Its IUPAC name is 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane.

Molecular Properties

Compound Name1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane
PubChem CID158326042
Molecular FormulaC69H132N2
Molecular Weight989.83 g/mol
Exact Mass989.04
IUPAC Name1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)C1CCC2(CCCC2)CC1.CC(C)(C)N1CCCCC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1(CC)CC=C(C(C)(C)C)CC1
InChIInChI=1S/2C14H26.C12H22.C10H21N.C10H18.C9H19N/c1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-6-14(7-2)10-8-12(9-11-14)13(3,4)5;1-11(2,3)10-6-8-12(4,5)9-7-10;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/h12H,4-11H2,1-3H3;8H,6-7,9-11H2,1-5H3;6H,7-9H2,1-5H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3
InChIKeyGPKMZANWEOLTNG-UHFFFAOYSA-N
XLogP22.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.83
LogP ≤ 522.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane?
The IUPAC name of 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane (CID 158326042) is 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane.
What is the SMILES notation for 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane?
The canonical SMILES for 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane is CC(C)(C)C1=CCCCC1.CC(C)(C)C1CCC2(CCCC2)CC1.CC(C)(C)N1CCCCC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1(CC)CC=C(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane?
The InChIKey is GPKMZANWEOLTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26.C12H22.C10H21N.C10H18.C9H19N/c1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-6-14(7-2)10-8-12(9-11-14)13(3,4)5;1-11(2,3)10-6-8-12(4,5)9-7-10;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/h12H,4-11H2,1-3H3;8H,6-7,9-11H2,1-5H3;6H,7-9H2,1-5H3;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-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane?
1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane has a molecular weight of 989.83 g/mol, XLogP of 22.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;8-tert-butylspiro[4.5]decane is sourced from PubChem (CID 158326042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).