2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one

C63H126O6 — CID 161019744

IUPAC2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one
SMILESCC(C)CC(=O)C(C)C.CC(C)CC(=O)CC(C)C.CC(C)CCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCCC(=O)CC(C)C.CC(C)CCCCCC(=O)CC(C)C
InChIInChI=1S/C13H26O.C12H24O.C11H22O.C10H20O.C9H18O.C8H16O/c1-11(2)8-6-5-7-9-13(14)10-12(3)4;1-10(2)7-5-6-8-12(13)9-11(3)4;1-9(2)6-5-7-11(12)8-10(3)4;1-8(2)5-6-10(11)7-9(3)4;1-7(2)5-9(10)6-8(3)4;1-6(2)5-8(9)7(3)4/h11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyTYFAETMJSPVTLE-UHFFFAOYSA-N
MW979.69 g/mol
LogP19.40
Rot. Bonds33

About 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one

2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one (PubChem CID 161019744) has the molecular formula C63H126O6 and a molecular weight of 979.69 g/mol. Its IUPAC name is 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one.

Molecular Properties

Compound Name2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one
PubChem CID161019744
Molecular FormulaC63H126O6
Molecular Weight979.69 g/mol
Exact Mass978.96
IUPAC Name2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one
SMILESCC(C)CC(=O)C(C)C.CC(C)CC(=O)CC(C)C.CC(C)CCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCCC(=O)CC(C)C.CC(C)CCCCCC(=O)CC(C)C
InChIInChI=1S/C13H26O.C12H24O.C11H22O.C10H20O.C9H18O.C8H16O/c1-11(2)8-6-5-7-9-13(14)10-12(3)4;1-10(2)7-5-6-8-12(13)9-11(3)4;1-9(2)6-5-7-11(12)8-10(3)4;1-8(2)5-6-10(11)7-9(3)4;1-7(2)5-9(10)6-8(3)4;1-6(2)5-8(9)7(3)4/h11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyTYFAETMJSPVTLE-UHFFFAOYSA-N
XLogP19.40
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.69
LogP ≤ 519.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,16-dimethylheptadecan-6-one
CID 158111781
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
CID 167631647
14-methylpentadecane-2,8-dione
CID 159096890
9-bromo-2-methylnonan-4-one
CID 173106418
2-methylhexadecan-4-one
CID 63411798
8-hydroxy-2-methylnonan-4-one
CID 57006312
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
2-methyltetradecan-5-one
CID 19931308
35-methylhexatriacontan-18-one
CID 154265958
10-amino-2-methyldecan-4-one
CID 116551412

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one?
The IUPAC name of 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one (CID 161019744) is 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one.
What is the SMILES notation for 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one?
The canonical SMILES for 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one is CC(C)CC(=O)C(C)C.CC(C)CC(=O)CC(C)C.CC(C)CCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCCC(=O)CC(C)C.CC(C)CCCCCC(=O)CC(C)C.
What is the InChIKey of 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one?
The InChIKey is TYFAETMJSPVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C12H24O.C11H22O.C10H20O.C9H18O.C8H16O/c1-11(2)8-6-5-7-9-13(14)10-12(3)4;1-10(2)7-5-6-8-12(13)9-11(3)4;1-9(2)6-5-7-11(12)8-10(3)4;1-8(2)5-6-10(11)7-9(3)4;1-7(2)5-9(10)6-8(3)4;1-6(2)5-8(9)7(3)4/h11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one?
2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one has a molecular weight of 979.69 g/mol, XLogP of 19.40, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecan-4-one;2,6-dimethylheptan-4-one;2,5-dimethylhexan-3-one;2,8-dimethylnonan-4-one;2,7-dimethyloctan-4-one;2,10-dimethylundecan-4-one is sourced from PubChem (CID 161019744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).