1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one

C142H294N2O14S — CID 162244176

About 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one

1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one (PubChem CID 162244176) has the molecular formula C142H294N2O14S and a molecular weight of 2285.98 g/mol. Its IUPAC name is 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one
• PubChem CID: 162244176
• Molecular Formula: C142H294N2O14S
• Molecular Weight: 2285.98 g/mol
• Exact Mass: 2284.21
• IUPAC Name: 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one
• SMILES: CC(C)(C)CC=CCCCOCC(C)(C)C.CC(C)(C)CCCCCCC(=O)CCC(C)(C)C.CC(C)(C)CCCCCCCCOCC(C)(C)C.CC(C)(C)CCCCCCOCC(C)(C)C.CC(C)(C)CCCCCCS(=O)(=O)CCC(C)(C)C.CC(C)(C)CNC(=O)C(C)(C)CCCCOCC(C)(C)C.CC(C)(C)CNC(=O)CCCCCOCC(C)(C)C.CC(C)(C)COC/C=C/COCC(C)(C)C.CC(C)(C)COCCCCOCC(C)(C)C
• InChI: InChI=1S/C18H37NO2.C17H34O.C17H36O.C16H33NO2.C16H34O2S.C15H32O.C15H30O.C14H30O2.C14H28O2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6;1-16(2,3)13-10-8-7-9-11-15(18)12-14-17(4,5)6;1-16(2,3)13-11-9-7-8-10-12-14-18-15-17(4,5)6;1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6;1-15(2,3)11-9-7-8-10-13-19(17,18)14-12-16(4,5)6;2*1-14(2,3)11-9-7-8-10-12-16-13-15(4,5)6;2*1-13(2,3)11-15-9-7-8-10-16-12-14(4,5)6/h9-14H2,1-8H3,(H,19,20);7-14H2,1-6H3;7-15H2,1-6H3;7-13H2,1-6H3,(H,17,18);7-14H2,1-6H3;7-13H2,1-6H3;7,9H,8,10-13H2,1-6H3;7-12H2,1-6H3;7-8H,9-12H2,1-6H3/b;;;;;;;;8-7+
• InChIKey: ZXCLBLYRBDPOFU-OQZKVCDYSA-N
• XLogP: 42.04
• TPSA: 192.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 67
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.98
LogP ≤ 5	42.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one?

The IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one (CID 162244176) is 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one.

What is the SMILES notation for 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one?

The canonical SMILES for 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one is CC(C)(C)CC=CCCCOCC(C)(C)C.CC(C)(C)CCCCCCC(=O)CCC(C)(C)C.CC(C)(C)CCCCCCCCOCC(C)(C)C.CC(C)(C)CCCCCCOCC(C)(C)C.CC(C)(C)CCCCCCS(=O)(=O)CCC(C)(C)C.CC(C)(C)CNC(=O)C(C)(C)CCCCOCC(C)(C)C.CC(C)(C)CNC(=O)CCCCCOCC(C)(C)C.CC(C)(C)COC/C=C/COCC(C)(C)C.CC(C)(C)COCCCCOCC(C)(C)C.

What is the InChIKey of 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one?

The InChIKey is ZXCLBLYRBDPOFU-OQZKVCDYSA-N. The full InChI is InChI=1S/C18H37NO2.C17H34O.C17H36O.C16H33NO2.C16H34O2S.C15H32O.C15H30O.C14H30O2.C14H28O2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6;1-16(2,3)13-10-8-7-9-11-15(18)12-14-17(4,5)6;1-16(2,3)13-11-9-7-8-10-12-14-18-15-17(4,5)6;1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6;1-15(2,3)11-9-7-8-10-13-19(17,18)14-12-16(4,5)6;2*1-14(2,3)11-9-7-8-10-12-16-13-15(4,5)6;2*1-13(2,3)11-15-9-7-8-10-16-12-14(4,5)6/h9-14H2,1-8H3,(H,19,20);7-14H2,1-6H3;7-15H2,1-6H3;7-13H2,1-6H3,(H,17,18);7-14H2,1-6H3;7-13H2,1-6H3;7,9H,8,10-13H2,1-6H3;7-12H2,1-6H3;7-8H,9-12H2,1-6H3/b;;;;;;;;8-7+.

What are the key properties of 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one?

1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one has a molecular weight of 2285.98 g/mol, XLogP of 42.04, 67 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one is sourced from PubChem (CID 162244176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).