2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione

C25H46O4 — CID 167631647

IUPAC2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
SMILESCC(C)CC(=O)CCCC(=O)C(C)C.CC(C)CC(=O)CCCC(=O)CC(C)C
InChIInChI=1S/C13H24O2.C12H22O2/c1-10(2)8-12(14)6-5-7-13(15)9-11(3)4;1-9(2)8-11(13)6-5-7-12(14)10(3)4/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyNWSPVEILAKHMIW-UHFFFAOYSA-N
MW410.64 g/mol
LogP6.38
Rot. Bonds15

About 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione

2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione (PubChem CID 167631647) has the molecular formula C25H46O4 and a molecular weight of 410.64 g/mol. Its IUPAC name is 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione.

Molecular Properties

Compound Name2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
PubChem CID167631647
Molecular FormulaC25H46O4
Molecular Weight410.64 g/mol
Exact Mass410.34
IUPAC Name2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
SMILESCC(C)CC(=O)CCCC(=O)C(C)C.CC(C)CC(=O)CCCC(=O)CC(C)C
InChIInChI=1S/C13H24O2.C12H22O2/c1-10(2)8-12(14)6-5-7-13(15)9-11(3)4;1-9(2)8-11(13)6-5-7-12(14)10(3)4/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyNWSPVEILAKHMIW-UHFFFAOYSA-N
XLogP6.38
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione with MolForge

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Related Compounds

2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
CID 159032756
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
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
8-hydroxy-2-methylnonan-4-one
CID 57006312
2-methylhexadecan-4-one
CID 63411798
14-methylpentadecane-2,13-dione
CID 88544438
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
8-methyl-1-(3-methylbutylamino)nonane-3,7-dione
CID 171600874
10-amino-2-methyldecan-4-one
CID 116551412
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
9-bromo-2-methylnonan-4-one
CID 173106418
2-methylhexadecane-4,7-dione
CID 57053022

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione?
The IUPAC name of 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione (CID 167631647) is 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione.
What is the SMILES notation for 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione?
The canonical SMILES for 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione is CC(C)CC(=O)CCCC(=O)C(C)C.CC(C)CC(=O)CCCC(=O)CC(C)C.
What is the InChIKey of 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione?
The InChIKey is NWSPVEILAKHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C12H22O2/c1-10(2)8-12(14)6-5-7-13(15)9-11(3)4;1-9(2)8-11(13)6-5-7-12(14)10(3)4/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione?
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione has a molecular weight of 410.64 g/mol, XLogP of 6.38, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione is sourced from PubChem (CID 167631647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).