2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one

C132H254N2O20 — CID 167698240

About 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one

2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one (PubChem CID 167698240) has the molecular formula C132H254N2O20 and a molecular weight of 2189.48 g/mol. Its IUPAC name is 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one.

Molecular Properties

• Compound Name: 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one
• PubChem CID: 167698240
• Molecular Formula: C132H254N2O20
• Molecular Weight: 2189.48 g/mol
• Exact Mass: 2187.89
• IUPAC Name: 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one
• SMILES: CC(C)C(=O)C(C)C.CC(C)C(=O)CCCCC(=O)C(C)C.CC(C)C(=O)CCCCCCC(=O)C(C)C.CC(C)C(=O)CCCOCCOCCC(=O)C(C)C.CC(C)CC(=O)C(C)C.CC(C)CC(=O)CCC(=O)C(C)C.CC(C)CC(=O)CCCC(=O)C(C)C.CC(C)CCC(=O)C(C)C.CC(C)CCCC(=O)C(C)C.CC(C)CCCCCC(=O)C(C)C.CC(C)NC(=O)CCCCCCC(=O)C(C)C.CC(C)NCC(=O)C(C)C
• InChI: InChI=1S/C15H28O4.C14H27NO2.C14H26O2.2C12H22O2.C12H24O.C11H20O2.C10H20O.C9H18O.C8H17NO.C8H16O.C7H14O/c1-12(2)14(16)6-5-8-18-10-11-19-9-7-15(17)13(3)4;1-11(2)13(16)9-7-5-6-8-10-14(17)15-12(3)4;1-11(2)13(15)9-7-5-6-8-10-14(16)12(3)4;1-9(2)8-11(13)6-5-7-12(14)10(3)4;1-9(2)11(13)7-5-6-8-12(14)10(3)4;1-10(2)8-6-5-7-9-12(13)11(3)4;1-8(2)7-10(12)5-6-11(13)9(3)4;1-8(2)6-5-7-10(11)9(3)4;1-7(2)5-6-9(10)8(3)4;1-6(2)8(10)5-9-7(3)4;1-6(2)5-8(9)7(3)4;1-5(2)7(8)6(3)4/h12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3,(H,15,17);11-12H,5-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3
• InChIKey: XZHUAKDOJDCLQD-UHFFFAOYSA-N
• XLogP: 32.93
• TPSA: 349.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 75
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2189.48
LogP ≤ 5	32.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one?

The IUPAC name of 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one (CID 167698240) is 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one.

What is the SMILES notation for 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one?

The canonical SMILES for 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one is CC(C)C(=O)C(C)C.CC(C)C(=O)CCCCC(=O)C(C)C.CC(C)C(=O)CCCCCCC(=O)C(C)C.CC(C)C(=O)CCCOCCOCCC(=O)C(C)C.CC(C)CC(=O)C(C)C.CC(C)CC(=O)CCC(=O)C(C)C.CC(C)CC(=O)CCCC(=O)C(C)C.CC(C)CCC(=O)C(C)C.CC(C)CCCC(=O)C(C)C.CC(C)CCCCCC(=O)C(C)C.CC(C)NC(=O)CCCCCCC(=O)C(C)C.CC(C)NCC(=O)C(C)C.

What is the InChIKey of 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one?

The InChIKey is XZHUAKDOJDCLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4.C14H27NO2.C14H26O2.2C12H22O2.C12H24O.C11H20O2.C10H20O.C9H18O.C8H17NO.C8H16O.C7H14O/c1-12(2)14(16)6-5-8-18-10-11-19-9-7-15(17)13(3)4;1-11(2)13(16)9-7-5-6-8-10-14(17)15-12(3)4;1-11(2)13(15)9-7-5-6-8-10-14(16)12(3)4;1-9(2)8-11(13)6-5-7-12(14)10(3)4;1-9(2)11(13)7-5-6-8-12(14)10(3)4;1-10(2)8-6-5-7-9-12(13)11(3)4;1-8(2)7-10(12)5-6-11(13)9(3)4;1-8(2)6-5-7-10(11)9(3)4;1-7(2)5-6-9(10)8(3)4;1-6(2)8(10)5-9-7(3)4;1-6(2)5-8(9)7(3)4;1-5(2)7(8)6(3)4/h12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3,(H,15,17);11-12H,5-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3.

What are the key properties of 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one?

2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one has a molecular weight of 2189.48 g/mol, XLogP of 32.93, 75 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dimethyldecane-3,7-dione;2,9-dimethyldecane-3,8-dione;2,9-dimethyldecan-3-one;2,11-dimethyldodecane-3,10-dione;2,6-dimethylheptan-3-one;2,5-dimethylhexan-3-one;2,8-dimethylnonane-3,6-dione;2,7-dimethyloctan-3-one;2,4-dimethylpentan-3-one;2-methyl-6-[2-(4-methyl-3-oxopentoxy)ethoxy]hexan-3-one;9-methyl-8-oxo-N-propan-2-yldecanamide;3-methyl-1-(propan-2-ylamino)butan-2-one is sourced from PubChem (CID 167698240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).