1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane

C206H410 — CID 160724082

About 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane

1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane (PubChem CID 160724082) has the molecular formula C206H410 and a molecular weight of 2887.55 g/mol. Its IUPAC name is 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane.

Molecular Properties

• Compound Name: 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane
• PubChem CID: 160724082
• Molecular Formula: C206H410
• Molecular Weight: 2887.55 g/mol
• Exact Mass: 2885.21
• IUPAC Name: 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane
• SMILES: CC(C)(C)C1CCC2CCCC21.CC(C)(C)C1CCC2CCCCC21.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CCCCCC(C)C(C)(C)C
• InChI: InChI=1S/C13H24.C12H22.11C11H22.C11H24.4C10H20.C9H18/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)11-8-7-9-5-4-6-10(9)11;11*1-11(2,3)10-8-6-4-5-7-9-10;1-6-7-8-9-10(2)11(3,4)5;4*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;11*10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;4*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
• InChIKey: RTLZURGNNBSYIU-UHFFFAOYSA-N
• XLogP: 74.06
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2887.55
LogP ≤ 5	74.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane?

The IUPAC name of 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane (CID 160724082) is 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane.

What is the SMILES notation for 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane?

The canonical SMILES for 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane is CC(C)(C)C1CCC2CCCC21.CC(C)(C)C1CCC2CCCCC21.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCCCC1.CCCCCC(C)C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane?

The InChIKey is RTLZURGNNBSYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C12H22.11C11H22.C11H24.4C10H20.C9H18/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)11-8-7-9-5-4-6-10(9)11;11*1-11(2,3)10-8-6-4-5-7-9-10;1-6-7-8-9-10(2)11(3,4)5;4*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;11*10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;4*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.

What are the key properties of 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane?

1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane has a molecular weight of 2887.55 g/mol, XLogP of 74.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane is sourced from PubChem (CID 160724082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).