1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane

C91H192 — CID 161459632

About 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane

1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane (PubChem CID 161459632) has the molecular formula C91H192 and a molecular weight of 1291.57 g/mol. Its IUPAC name is 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane.

Molecular Properties

• Compound Name: 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane
• PubChem CID: 161459632
• Molecular Formula: C91H192
• Molecular Weight: 1291.57 g/mol
• Exact Mass: 1290.53
• IUPAC Name: 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane
• SMILES: CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)CC(C)(C)C.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.[2H]C(C)(C)C(C)(C)C.[2H]C([2H])([2H])C(C)(C)C.[2H]C1(C(C)(C)C)CCCC1
• InChI: InChI=1S/C14H24.C10H20.2C9H18.C9H20.2C8H18.2C7H16.2C5H12/c1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9(4,5)6;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;2*1-6(2)7(3,4)5;2*1-5(2,3)4/h10-12H,4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8H,4-7H2,1-3H3;7H2,1-6H3;7H,6H2,1-5H3;1-6H3;2*6H,1-5H3;2*1-4H3/i;;8D;;;;;6D;;1D3
• InChIKey: WBPURDSUQSXUGS-NDPSEIAXSA-N
• XLogP: 33.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1291.57
LogP ≤ 5	33.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?

The IUPAC name of 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane (CID 161459632) is 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane.

What is the SMILES notation for 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?

The canonical SMILES for 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane is CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)CC(C)(C)C.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.[2H]C(C)(C)C(C)(C)C.[2H]C([2H])([2H])C(C)(C)C.[2H]C1(C(C)(C)C)CCCC1.

What is the InChIKey of 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?

The InChIKey is WBPURDSUQSXUGS-NDPSEIAXSA-N. The full InChI is InChI=1S/C14H24.C10H20.2C9H18.C9H20.2C8H18.2C7H16.2C5H12/c1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9(4,5)6;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;2*1-6(2)7(3,4)5;2*1-5(2,3)4/h10-12H,4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8H,4-7H2,1-3H3;7H2,1-6H3;7H,6H2,1-5H3;1-6H3;2*6H,1-5H3;2*1-4H3/i;;8D;;;;;6D;;1D3;.

What are the key properties of 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?

1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane has a molecular weight of 1291.57 g/mol, XLogP of 33.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane is sourced from PubChem (CID 161459632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).