1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one

C193H387NO22 — CID 164972210

About 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one

1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one (PubChem CID 164972210) has the molecular formula C193H387NO22 and a molecular weight of 3074.20 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one
• PubChem CID: 164972210
• Molecular Formula: C193H387NO22
• Molecular Weight: 3074.20 g/mol
• Exact Mass: 3071.92
• IUPAC Name: 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one
• SMILES: CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CCCC(=O)CC(C)(C)C.CC(C)(C)CCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCCCCC(=O)CCCCCC(C)(C)C.CC(C)(C)CCCCNC(=O)CC(C)(C)C.CC(C)(C)CCOCCCC(=O)CC(C)(C)C.CC(C)(C)CCOCCOCCCC(=O)CC(C)(C)C.CC(C)(C)CCOCCOCCOCCCC(=O)CC(C)(C)C.CC(C)(C)CCOCCOCCOCCOCCCC(=O)CC(C)(C)C
• InChI: InChI=1S/C22H44O.C21H42O5.C19H38O4.C17H34O3.C17H34O.C16H32O.C15H30O2.C15H30O.C14H29NO.C14H28O.C13H26O.C10H20O/c1-21(2,3)18-14-10-8-7-9-12-16-20(23)17-13-11-15-19-22(4,5)6;1-20(2,3)9-11-24-13-15-26-17-16-25-14-12-23-10-7-8-19(22)18-21(4,5)6;1-18(2,3)9-11-22-13-15-23-14-12-21-10-7-8-17(20)16-19(4,5)6;1-16(2,3)9-11-20-13-12-19-10-7-8-15(18)14-17(4,5)6;1-16(2,3)13-11-9-7-8-10-12-15(18)14-17(4,5)6;1-15(2,3)12-10-8-7-9-11-14(17)13-16(4,5)6;1-14(2,3)9-11-17-10-7-8-13(16)12-15(4,5)6;1-14(2,3)11-9-7-8-10-13(16)12-15(4,5)6;1-13(2,3)9-7-8-10-15-12(16)11-14(4,5)6;1-13(2,3)10-8-7-9-12(15)11-14(4,5)6;1-12(2,3)9-7-8-11(14)10-13(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h7-19H2,1-6H3;7-18H2,1-6H3;7-16H2,1-6H3;7-14H2,1-6H3;7-14H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3,(H,15,16);7-11H2,1-6H3;7-10H2,1-6H3;7H2,1-6H3
• InChIKey: DGZZIOZJCRIFKK-UHFFFAOYSA-N
• XLogP: 56.45
• TPSA: 309.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 95
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3074.20
LogP ≤ 5	56.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one?

The IUPAC name of 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one (CID 164972210) is 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one.

What is the SMILES notation for 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one?

The canonical SMILES for 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one is CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CCCC(=O)CC(C)(C)C.CC(C)(C)CCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCCCC(=O)CC(C)(C)C.CC(C)(C)CCCCCCCCC(=O)CCCCCC(C)(C)C.CC(C)(C)CCCCNC(=O)CC(C)(C)C.CC(C)(C)CCOCCCC(=O)CC(C)(C)C.CC(C)(C)CCOCCOCCCC(=O)CC(C)(C)C.CC(C)(C)CCOCCOCCOCCCC(=O)CC(C)(C)C.CC(C)(C)CCOCCOCCOCCOCCCC(=O)CC(C)(C)C.

What is the InChIKey of 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one?

The InChIKey is DGZZIOZJCRIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O.C21H42O5.C19H38O4.C17H34O3.C17H34O.C16H32O.C15H30O2.C15H30O.C14H29NO.C14H28O.C13H26O.C10H20O/c1-21(2,3)18-14-10-8-7-9-12-16-20(23)17-13-11-15-19-22(4,5)6;1-20(2,3)9-11-24-13-15-26-17-16-25-14-12-23-10-7-8-19(22)18-21(4,5)6;1-18(2,3)9-11-22-13-15-23-14-12-21-10-7-8-17(20)16-19(4,5)6;1-16(2,3)9-11-20-13-12-19-10-7-8-15(18)14-17(4,5)6;1-16(2,3)13-11-9-7-8-10-12-15(18)14-17(4,5)6;1-15(2,3)12-10-8-7-9-11-14(17)13-16(4,5)6;1-14(2,3)9-11-17-10-7-8-13(16)12-15(4,5)6;1-14(2,3)11-9-7-8-10-13(16)12-15(4,5)6;1-13(2,3)9-7-8-10-15-12(16)11-14(4,5)6;1-13(2,3)10-8-7-9-12(15)11-14(4,5)6;1-12(2,3)9-7-8-11(14)10-13(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h7-19H2,1-6H3;7-18H2,1-6H3;7-16H2,1-6H3;7-14H2,1-6H3;7-14H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3,(H,15,16);7-11H2,1-6H3;7-10H2,1-6H3;7H2,1-6H3.

What are the key properties of 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one?

1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one has a molecular weight of 3074.20 g/mol, XLogP of 56.45, 95 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one is sourced from PubChem (CID 164972210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).